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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.37 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CHRNB4 known ✓ | P30926 | 2/20 | 0.36 |
| ▸ | CHRNA3 known ✓ | P32297 | 2/20 | 0.36 |
| ▸ | CHRNA7 known ✓ | P36544 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19116619 | 0.98 | CHEK1 (0.41) | CHEK1CCNA2CDK2CCNA1CHRNB2 | |
| SCHEMBL29889443 | 0.98 | CHEK1 (0.41) | CHEK1CCNA2CDK2CCNA1CHRNB2 | |
| SCHEMBL3954850 | 0.98 | CHEK1 (0.41) | CHEK1CCNA2CDK2CCNA1CHRNB2 | |
| SCHEMBL8271401 | 0.98 | CHEK1 (0.41) | CHEK1CCNA2CDK2CCNA1CHRNB2 | |
| Hydrochloric Acid SCHEMBL20744274 | 0.89 | HRH3 (0.43) | HRH3NISCHMKNK1MKNK2 | |
| SCHEMBL3460332 | 0.88 | CHEK1 (0.51) | CHEK1CCNA2CDK2CCNA1CHRNB2 | |
| SCHEMBL15587834 | 0.88 | CHEK1 (0.51) | CHEK1CCNA2CDK2CCNA1CHRNB2 | |
| SCHEMBL29891608 | 0.87 | HRH3 (0.44) | HRH3NISCHMKNK1MKNK2 | |
| SCHEMBL9557396 | 0.87 | HRH3 (0.44) | HRH3NISCHMKNK1MKNK2 | |
| SCHEMBL1740542 | 0.83 | CHRNB4 (0.42) | CHEK1CCNA2CDK2CCNA1CHRNB2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2078003-B1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME (US) | 2017-03-08 | — | — | EP | disclosed |
| US-9206142-B2 | Anilinopiperazine derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2015-12-08 | — | — | US | disclosed |
| US-8871753-B2 | Macrocyclic compounds and their use as kinase inhibitors | INCYTE CORPORATION (US) | 2014-10-28 | — | — | US | disclosed |
| US-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME LLC | 2012-12-27 | — | — | US | disclosed |
| EP-2274288-A2 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | Incyte Corporation (US) | 2011-01-19 | — | — | EP | disclosed |
| US-7666888-B2 | Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 | AMGEN INC. (US) | 2010-02-23 | — | — | US | disclosed |
| US-20090286778-A1 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2009-11-19 | — | — | US | disclosed |
| WO-2009132202-A2 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2009-10-29 | — | — | WO | disclosed |
| EP-2051977-A2 | SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 | Amgen Inc. (US) | 2009-04-29 | — | — | EP | disclosed |
| WO-2008011453-A2 | SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 | AMGEN INC. (US) | 2008-01-24 | — | — | WO | disclosed |
| US-20080021022-A1 | SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 | AMGEN INC. | 2008-01-24 | — | — | US | disclosed |
| EP-1778675-A1 | CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF | Cylene Pharmaceuticals, Inc. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006015150-A1 | CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF | CYLENE PHARMACEUTICALS (US) | 2006-02-09 | — | — | WO | disclosed |
| US-20060025468-A1 | Chiral pyrrolidine derivatives, and methods for preparing compounds thereof | CYLENE PHARMACEUTICALS | 2006-02-02 | — | — | 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 (4 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-20090286778-A1 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | JAK2, JAK1, ALK | HTR3A 4542/4885HRH3 1871/4885CHRNB4 4878/4885 |
| US-20080021022-A1 | SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 | HSD17B1, HSD11B1, HSD17B11 | HTR3A 1156/4885HRH3 2625/4885CHRNB4 2612/4885 |
| US-20060025468-A1 | Chiral pyrrolidine derivatives, and methods for preparing compounds thereof | PIN1, HPD, DHPS | HTR3A 3296/4885HRH3 1102/4885CHRNB4 4719/4885 |
| US-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MAPK15, CDK15, MAPKAPK5 | HTR3A 1798/4885HRH3 3803/4885CHRNB4 4688/4885 |
“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.