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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 5/20 | 0.50 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL9008786 | 0.87 | KCNH2 (0.59) | TAAR1CYP1A2CYP2A6KCNH2AGXT | |
| SCHEMBL27365273 | 0.83 | TAAR1 (0.58) | TAAR1CYP1A2CYP2A6KCNH2AGXT | |
| SCHEMBL16682540 | 0.80 | AGXT (0.52) | TAAR1CYP1A2CYP2A6KCNH2AGXT | |
| SCHEMBL12299452 | 0.79 | KCNH2 (0.53) | TAAR1CYP1A2CYP2A6KCNH2AGXT | |
| Hydrochloric Acid SCHEMBL29004380 | 0.79 | HTR2A (0.56) | TAAR1CYP1A2CYP2A6MAOBIDO1 | |
| SCHEMBL21518158 | 0.79 | AGXT (0.56) | TAAR1CYP1A2CYP2A6KCNH2AGXT | |
| Hydrochloric Acid SCHEMBL22160586 | 0.78 | TAAR1 (0.95) | TAAR1CYP1A2CYP2A6AGXTMAOB | |
| SCHEMBL24603048 | 0.78 | KCNH2 (0.51) | TAAR1CYP1A2CYP2A6KCNH2AGXT | |
| SCHEMBL8097545 | 0.78 | TAAR1 (0.61) | TAAR1AGXTMAOBIDO1 | |
| SCHEMBL16898703 | 0.78 | TAAR1 (0.61) | TAAR1CYP1A2CYP2A6MAOBBACE1 |
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-6080869-A | Benzothiazolone derivatives | ASTRA PHARMACEUTICALS LIMITED (GB) | 2000-06-27 | — | — | US | disclosed |
| EP-0850232-B1 | BENZOTHIAZOLONE DERIVATIVES | ASTRA PHARMA PROD (GB) | 2000-03-15 | — | — | EP | disclosed |
| US-6008365-A | ADRENORECEPTOR AGONISTS AND DOPAMINE DA2-RECEPTOR AGONISTS, USEFUL IN THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES | ASTRA PHARMACEUTICALS LTD. (GB) | 1999-12-28 | — | — | US | disclosed |
| US-5977384-A | Benzothiazolone derivatives | ASTRA PHARMACEUTICALS LTD. (GB) | 1999-11-02 | — | — | US | disclosed |
| US-5973167-A | Intermediates for making benzothiazolone derivatives | ASTRA PHARMACEUTICALS LTD. (GB) | 1999-10-26 | — | — | US | disclosed |
| US-5846989-A | Benzothiazolone derivatives | ASTRA PHARMACEUTICALS LIMITED (GB) | 1998-12-08 | — | — | US | disclosed |
| EP-0850232-A1 | BENZOTHIAZOLONE DERIVATIVES | Astra Pharmaceuticals Limited (GB) | 1998-07-01 | — | — | EP | disclosed |
| WO-1997010227-A1 | BENZOTHIAZOLONE DERIVATIVES | ASTRA PHARMACEUTICALS LIMITED (GB) | 1997-03-20 | — | — | WO | disclosed |