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 | 12/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 12/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 5/20 | 0.38 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.38 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.38 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.38 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.38 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.38 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.32 |
| ▸ | HSD11B1 known ✓ | P28845 | 2/20 | 0.32 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.31 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.31 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7618723 | 0.98 | CYP3A4 (0.46) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| Hydrochloric Acid SCHEMBL27279539 | 0.82 | CYP3A4 (0.46) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| Hydrochloric Acid SCHEMBL2299 | 0.80 | CYP3A4 (0.47) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL21840384 | 0.78 | SLC6A4 (0.43) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL9118413 | 0.76 | CYP3A4 (0.51) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL12225792 | 0.75 | CYP3A4 (0.44) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| Hydrochloric Acid SCHEMBL6473143 | 0.72 | CYP3A4 (0.48) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL12473858 | 0.72 | CYP3A4 (0.45) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| Hydrochloric Acid SCHEMBL8334026 | 0.71 | CYP3A4 (0.47) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL9117954 | 0.71 | SLC6A4 (0.48) | CYP3A4ALOX15TSHRTP53SLC6A4 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1178789-B1 | METHOD OF TREATING EATING DISORDERS | ABBOTT GMBH & CO KG (DE) | 2008-07-16 | — | — | EP | disclosed |
| EP-1169027-A4 | TREATMENT OF OSTEOARTHRITIS | ABBOTT GMBH & CO KG (DE) | 2004-10-20 | — | — | EP | disclosed |
| EP-1178789-A4 | METHOD OF TREATING EATING DISORDERS | ABBOTT GMBH & CO KG (DE) | 2004-02-18 | — | — | EP | disclosed |
| CN-1376061-A | Treatment of hiatial hernia | KNOLLPHARMACEUTICAL COMPANY (DE) | 2002-10-23 | — | — | CN | disclosed |
| EP-1162966-A4 | WEIGHT LOSS AFTER PREGNANCY | KNOLL GMBH (DE) | 2002-06-12 | — | — | EP | disclosed |
| EP-1165060-A4 | TREATMENT OF GALLSTONES | KNOLL GMBH (DE) | 2002-06-12 | — | — | EP | disclosed |
| CN-1352552-A | Treatment of osteoarthritis | KNOLL PHARMACEUTICAL CO (DE) | 2002-06-05 | — | — | CN | disclosed |
| CN-1352553-A | Weight loss after pregnancy | KNOLL PHARMACEUTICAL CO (US) | 2002-06-05 | — | — | CN | disclosed |
| EP-1178789-A1 | METHOD OF TREATING EATING DISORDERS | Knoll GmbH (DE) | 2002-02-13 | — | — | EP | disclosed |
| US-6346549-B1 | TREATING SYMPTOMS OF DRUG WITHDRAWAL, TREATING TO AID IN CESSATION OF, OR PREVENTING RELAPSE AFTER CESSATION OF, DRUG MISUSE, COMPULSIVE GAMBLING, COMPULSIVE SHOPPING OR COMPULSIVE SEXUAL BEHAVIOUR | KNOLL PHARMACEUTICAL COMPANY | 2002-02-12 | — | — | US | disclosed |
| EP-1171106-A1 | TREATMENT OF CERTAIN CANCERS ASSOCIATED WITH WEIGHT GAIN | Knoll GmbH (DE) | 2002-01-16 | — | — | EP | disclosed |
| EP-1169028-A1 | TREATMENT OF HIATIAL HERNIA | Knoll GmbH (DE) | 2002-01-09 | — | — | EP | disclosed |
| EP-1169027-A1 | TREATMENT OF OSTEOARTHRITIS | Knoll GmbH (DE) | 2002-01-09 | — | — | EP | disclosed |
| EP-1165060-A1 | TREATMENT OF GALLSTONES | Knoll GmbH (DE) | 2002-01-02 | — | — | EP | disclosed |
| EP-1162966-A1 | WEIGHT LOSS AFTER PREGNANCY | KNOLL PHARMACEUTICAL COMPANY (US) | 2001-12-19 | — | — | EP | disclosed |
| EP-1162965-A1 | METHOD OF CONTROLLING WEIGHT GAIN ASSOCIATED WITH THERAPEUTIC DRUGS | KNOLL PHARMACEUTICAL COMPANY (US) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000056306-A1 | TREATMENT OF OSTEOARTHRITIS | KNOLL GMBH (DE) | 2000-09-28 | — | — | WO | disclosed |
| WO-2000056307-A1 | TREATMENT OF HIATIAL HERNIA | KNOLL GMBH (DE) | 2000-09-28 | — | — | WO | disclosed |
| WO-2000056320-A1 | TREATMENT OF MENSTRUAL FUNCTION | KNOLL PHARMACEUTICAL COMPANY (US) | 2000-09-28 | — | — | WO | disclosed |
| WO-2000056148-A1 | TREATMENT OF PHARMACOLOGY OF DRUG MISUSE AND OTHER ADDICTIVE DISORDERS | KNOLL PHARMACEUTICAL COMPANY (US) | 2000-09-28 | — | — | WO | disclosed |