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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.37 |
| ▸ | MAOB known ✓ | P27338 | 4/20 | 0.32 |
| ▸ | MAOA known ✓ | P21397 | 3/20 | 0.32 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.31 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.31 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.30 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM1A | O60341 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15771658 | 1.00 | TSHR (0.37) | TSHRACHELMNAALOX12APOBEC3A | |
| SCHEMBL2968167 | 0.97 | — | — | |
| Bromide SCHEMBL15772385 | 0.93 | TSHR (0.37) | TSHRACHELMNAALOX12APOBEC3A | |
| SCHEMBL2976898 | 0.76 | TSHR (0.39) | TSHRACHELMNAALOX12APOBEC3A | |
| SCHEMBL8510432 | 0.73 | TSHR (0.37) | TSHRACHELMNAALOX12APOBEC3A | |
| Hydrochloric Acid SCHEMBL27449759 | 0.72 | ALDH1A1 (0.38) | TSHRACHELMNAALOX12APOBEC3A | |
| SCHEMBL9747871 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9231122 | 0.69 | ALDH1A1 (0.35) | TSHRACHELMNAALOX12APOBEC3A | |
| SCHEMBL6151529 | 0.69 | CA4 (0.41) | TSHRACHELMNAALOX12APOBEC3A | |
| SCHEMBL49939 | 0.67 | ALDH1A1 (0.40) | TSHRACHELMNAALOX12APOBEC3A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1159319-B1 | IMPROVED CATIONIC POLYMERIZATION PROCESS AND CATALYST SYSTEM THEREFOR | BAYER INC (CA) | 2004-08-04 | — | — | EP | disclosed |
| US-6699950-B1 | SLURRY COPOLYMERIZATION OF ISOOLEFIN AND CYCLOCONJUGATED MULTIOLEFIN IN PRESENCE OF ALUMINUM TRIHALIDE CATALYST AND ACTIVATOR | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-02 | — | — | US | disclosed |
| EP-1159319-A1 | IMPROVED CATIONIC POLYMERIZATION PROCESS AND CATALYST SYSTEM THEREFOR | Bayer Inc. (CA) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000040624-A9 | IMPROVED CATIONIC POLYMERIZATION PROCESS AND CATALYST SYSTEM THEREFOR | BAYER INC (CA) | 2001-07-12 | — | — | WO | disclosed |
| WO-2000040624-A1 | IMPROVED CATIONIC POLYMERIZATION PROCESS AND CATALYST SYSTEM THEREFOR | BAYER INC. (CA) | 2000-07-13 | — | — | WO | disclosed |
| US-4229325-A | VULCANIZABLE COPOLYMERS OR TERPOLYMERS, A SULFUR DONOR, A DELAYED ACTION ACCELERATOR; GEL-FREE | EXXON RESEARCH & ENGINEERING CO. (US) | 1980-10-21 | — | — | US | disclosed |
| US-4215022-A | GEL-FREE | EXXON RESEARCH & ENGINEERING CO. (US) | 1980-07-29 | — | — | US | disclosed |
| US-4153773-A | HIGH MOLECULAR WEIGHT | EXXON RESEARCH & ENGINEERING CO. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4153584-A | High molecular weight high unsaturation C4 -C10 isoolefin conjugated diolefin copolymers and multipolymers containing methylcyclopentadiene | EXXON RESEARCH & ENGINEERING CO. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4151343-A | High unsaturation butyl rubbers | EXXON RESEARCH & ENGINEERING CO. (US) | 1979-04-24 | — | — | US | disclosed |
| US-4139695-A | High molecular weight high unsaturation C4-C10 isoolefin conjugated diolefin copolymers and multipolymers containing methylcyclopentadiene | EXXON RESEARCH & ENGINEERING CO. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4057681-A | SOLUTION | EXXON RESEARCH & ENGINEERING CO. (US) | 1977-11-08 | — | — | US | disclosed |
| US-4031300-A | High molecular weight, high unsaturation isobutylene-cyclopentadiene copolymers | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1977-06-21 | — | — | US | disclosed |