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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.44 |
| ▸ | SCN9A known ✓ | Q15858 | 2/20 | 0.41 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.38 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.38 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.37 |
| ▸ | MMP7 known ✓ | P09237 | 1/20 | 0.37 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.37 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.39 |
| ▸ | BCL9 | O00512 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | ATF4 | P18848 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL648264 | 0.99 | SLC6A4 (0.45) | SLC6A4SCN9ATEAD1RAB9ANPC1 | |
| SCHEMBL649342 | 0.94 | SLC6A4 (0.44) | SLC6A4SCN9ATEAD1RAB9ANPC1 | |
| SCHEMBL649341 | 0.94 | SLC6A4 (0.44) | SLC6A4SCN9ATEAD1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL648678 | 0.94 | SLC6A4 (0.45) | SLC6A4SCN9ATEAD1RAB9AMAPKAPK2 | |
| SCHEMBL647679 | 0.93 | SLC6A4 (0.46) | SLC6A4SCN9ATEAD1RAB9AMAPKAPK2 | |
| SCHEMBL4405686 | 0.88 | MAOB (0.43) | SLC6A4RAB9ANPC1ATF4KDM1A | |
| SCHEMBL648322 | 0.87 | DRD4 (0.52) | SLC6A4TEAD1UTS2RMCHR1SLC6A5 | |
| Hydrochloric Acid SCHEMBL648553 | 0.86 | EPHX1 (0.44) | RAB9AKDM1AMCHR1 | |
| SCHEMBL3659838 | 0.85 | SLC6A4 (0.43) | SLC6A4SCN9ATEAD1RAB9ANPC1 | |
| SCHEMBL649755 | 0.85 | SLC6A5 (0.54) | SLC6A4MCHR1SLC6A5 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9174964-B2 | AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same | RIGEL PHARMACEUTICALS, INC. (US) | 2015-11-03 | — | — | US | disclosed |
| US-20140051673-A1 | AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same | RIGEL PHARMACEUTICALS, INC. (US) | 2014-02-20 | — | — | US | disclosed |
| US-8569340-B2 | AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same | RIGEL PHARMACEUTICALS, INC. (US) | 2013-10-29 | — | — | US | disclosed |
| US-20120115838-A1 | AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same | RIGEL PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | US | disclosed |
| US-8119809-B2 | AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same | RIGEL PHARMACEUTICALS, INC. (US) | 2012-02-21 | — | — | US | disclosed |
| EP-2231600-A1 | CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS | Rigel Pharmaceuticals, Inc. (US) | 2010-09-29 | — | — | EP | disclosed |
| US-20090170829-A1 | Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same | RIGEL PHARMACEUTICALS, INC. (US) | 2009-07-02 | — | — | US | disclosed |
| WO-2009065131-A1 | CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS | RIGEL PHARMACEUTICALS, INC. (US) | 2009-05-22 | — | — | WO | 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 (3 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-20140051673-A1 | AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same | PRKAA1, PRKAA2, PRKAG1 | SLC6A4 3971/4885SCN9A 2132/4885HTR1A 1399/4885 |
| US-20120115838-A1 | AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same | PRKAA1, PRKAA2, PRKAG1 | SLC6A4 3971/4885SCN9A 2132/4885HTR1A 1399/4885 |
| US-20090170829-A1 | Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same | AK2, PRKAA1, PRKAA2 | SLC6A4 2178/4885SCN9A 2227/4885HTR1A 608/4885 |
“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.