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 | |
|---|---|---|---|---|
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.38 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.38 |
| ▸ | GRIN2D known ✓ | O15399 | 4/20 | 0.36 |
| ▸ | GRIN3B known ✓ | O60391 | 4/20 | 0.36 |
| ▸ | GRIN1 known ✓ | Q05586 | 4/20 | 0.36 |
| ▸ | GRIN2A known ✓ | Q12879 | 4/20 | 0.36 |
| ▸ | GRIN2B known ✓ | Q13224 | 4/20 | 0.36 |
| ▸ | GRIN2C known ✓ | Q14957 | 4/20 | 0.36 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 4/20 | 0.36 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11060077 | 0.98 | CACNA1C (0.39) | CACNA1CSCN5AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL10615590 | 0.93 | ALDH1A1 (0.41) | CACNA1CSCN5ATP53ALDH1A1TDP1 | |
| SCHEMBL10613030 | 0.89 | ALDH1A1 (0.38) | CACNA1CSCN5ATP53ALDH1A1GABRA1 | |
| SCHEMBL10614640 | 0.89 | TP53 (0.35) | CACNA1CSCN5ATP53ALDH1A1TDP1 | |
| SCHEMBL11057149 | 0.85 | CACNA1C (0.38) | CACNA1CSCN5AGRIN2DGRIN3BGRIN1 | |
| Hydrochloric Acid SCHEMBL10613086 | 0.84 | PKM (0.36) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL10613079 | 0.84 | CYP3A4 (0.34) | CACNA1CSCN5ATP53ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL11058729 | 0.84 | GRIN2D (0.31) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL11141378 | 0.84 | GRIN2D (0.35) | CACNA1CSCN5AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL11060003 | 0.83 | GRIN2D (0.35) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4338441-A | CYCLIZATION OF AMIDINOUREA OR AMIDINOTHIOUREA WITH ACTIVE METHYLIDENE COMPOUND | WILLIAM H. RORER, INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4298608-A | LOCAL ANESTHETICS | WILLIAM H. RORER, INC. (US) | 1981-11-03 | — | — | US | disclosed |
| US-4279928-A | Method of lowering blood pressure | WILLIAM H. RORER, INC. (US) | 1981-07-21 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4241087-A | AMIDINOUREAS | WILLIAM H. RORER, INC. (US) | 1980-12-23 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4203985-A | Antidiarrheal triazinones | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4203983-A | GASTROINTESTINAL DISORDERS | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4203984-A | Antisecretory triazinones | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4198409-A | ANTIDIARRHEAL | WILLIAM H. RORER, INC. (US) | 1980-04-15 | — | — | US | disclosed |
| US-4198408-A | 1,4-DISUBSTITUTED-1,2-DIHYDRO-1,3,5-TRIHZIN-2-ONES | WILLIAM H. RORER, INC. (US) | 1980-04-15 | — | — | US | disclosed |
| US-4178387-A | ADMINISTERING AMIDINOUREAS | WILLIAM H. RORER, INC. (US) | 1979-12-11 | — | — | US | disclosed |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |