Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.41 |
| ▸ | CHRNA7 known ✓ | P36544 | 3/20 | 0.41 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.40 |
| ▸ | MAOA known ✓ | P21397 | 5/20 | 0.39 |
| ▸ | MAOB known ✓ | P27338 | 5/20 | 0.39 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.38 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.37 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.37 |
| ▸ | LGALS9 | O00182 | 1/20 | 0.43 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.43 |
| ▸ | LGALS3 | P17931 | 1/20 | 0.43 |
| ▸ | LGALS7; LGALS7B | P47929 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12070275 | 0.99 | LGALS9 (0.44) | LGALS9LGALS1LGALS3LGALS7; LGALS7BOPRM1 | |
| SCHEMBL15215757 | 0.99 | LGALS9 (0.44) | LGALS9LGALS1LGALS3LGALS7; LGALS7BOPRM1 | |
| SCHEMBL15215807 | 0.99 | LGALS9 (0.44) | LGALS9LGALS1LGALS3LGALS7; LGALS7BOPRM1 | |
| SCHEMBL12392953 | 0.99 | LGALS9 (0.44) | LGALS9LGALS1LGALS3LGALS7; LGALS7BOPRM1 | |
| SCHEMBL802389 | 0.86 | LGALS9 (0.41) | LGALS9LGALS1LGALS3LGALS7; LGALS7BOPRM1 | |
| SCHEMBL15095818 | 0.81 | LGALS9 (0.44) | LGALS9LGALS1LGALS3LGALS7; LGALS7BOPRM1 | |
| SCHEMBL18896495 | 0.78 | LGALS9 (0.41) | LGALS9LGALS1LGALS3LGALS7; LGALS7BOPRM1 | |
| SCHEMBL12392959 | 0.76 | SMN1; SMN2 (0.43) | LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7 | |
| SCHEMBL18900577 | 0.76 | CHRNA7 (0.41) | LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7 | |
| SCHEMBL12069028 | 0.74 | LGALS9 (0.45) | LGALS9LGALS1LGALS3LGALS7; LGALS7BOPRM1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9718788-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-08-01 | — | — | US | disclosed |
| US-20170050935-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-02-23 | — | — | US | disclosed |
| US-9458108-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-10-04 | — | — | US | disclosed |
| US-9334273-B1 | Efficient and stereoselective synthesis of 2′-fluoro-6′-methylene-carbocyclic adenosine (FMCA) | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2016-05-10 | — | — | US | disclosed |
| US-20160039761-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-02-11 | — | — | US | disclosed |
| US-9216960-B2 | Spiro[2.4]heptanes for treatment of Flaviviridae infections | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2015-12-22 | — | — | US | disclosed |
| US-9150525-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-10-06 | — | — | US | disclosed |
| US-20150183753-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-02 | — | — | US | disclosed |
| US-20150079036-A1 | Spiro[2.4]heptanes for Treatment of Flaviviridae Infections | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2015-03-19 | — | — | US | disclosed |
| US-8946242-B2 | Spiro[2.4]heptanes for treatment of flaviviridae infections | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2015-02-03 | — | — | US | disclosed |
| US-20140140957-A1 | Spiro[2.4]heptanes for Treatment of Flaviviridae Infections | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2014-05-22 | — | — | US | disclosed |
| US-20140140958-A1 | Spiro[2.4]heptanes for Treatment of Flaviviridae Infections | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2014-05-22 | — | — | US | disclosed |
| US-8673926-B2 | Spiro[2.4]heptanes for treatment of flaviviridae infections | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2014-03-18 | — | — | US | disclosed |
| US-20130345242-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-12-26 | — | — | US | disclosed |
| US-20130224152-A1 | Spiro[2.4]heptanes for Treatment of Flaviviridae Infections | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2013-08-29 | — | — | US | disclosed |
| US-8481550-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-07-09 | — | — | US | disclosed |
| US-20120071482-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-03-22 | — | — | US | disclosed |
| US-8008307-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-08-30 | — | — | US | disclosed |
| EP-2049491-B1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARM INC (US) | 2010-10-20 | — | — | EP | disclosed |
| US-20080051404-A1 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-02-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140140958-A1 | Spiro[2.4]heptanes for Treatment of Flaviviridae Infections | HAVCR2, SLC10A1, CYP8B1 | OPRM1 1105/4885OPRD1 562/4885CHRNA7 4431/4885 |
| US-20130224152-A1 | Spiro[2.4]heptanes for Treatment of Flaviviridae Infections | HAVCR2, SLC10A1, CYP8B1 | OPRM1 1105/4885OPRD1 562/4885CHRNA7 4431/4885 |
| US-20150183753-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | RCE1, ECE1, UBE2E1 | OPRM1 3006/4885OPRD1 2406/4885CHRNA7 3144/4885 |
| US-20120071482-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | RCE1, ECE1, UBE2E1 | OPRM1 3006/4885OPRD1 2406/4885CHRNA7 3144/4885 |
| US-20140140957-A1 | Spiro[2.4]heptanes for Treatment of Flaviviridae Infections | HAVCR2, SLC10A1, CYP8B1 | OPRM1 1105/4885OPRD1 562/4885CHRNA7 4431/4885 |
| US-20130345242-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | RCE1, ECE1, UBE2E1 | OPRM1 3006/4885OPRD1 2406/4885CHRNA7 3144/4885 |
| US-20080051404-A1 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | RCE1, ECE1, UBE2E1 | OPRM1 3006/4885OPRD1 2406/4885CHRNA7 3144/4885 |
| US-20150079036-A1 | Spiro[2.4]heptanes for Treatment of Flaviviridae Infections | HAVCR2, SLC10A1, CYP8B1 | OPRM1 1105/4885OPRD1 562/4885CHRNA7 4431/4885 |
| US-20170050935-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | RCE1, ECE1, UBE2E1 | OPRM1 3006/4885OPRD1 2406/4885CHRNA7 3144/4885 |
| US-20160039761-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | RCE1, ECE1, UBE2E1 | OPRM1 3006/4885OPRD1 2406/4885CHRNA7 3144/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.