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 | |
|---|---|---|---|---|
| ▸ | CHRNB1 known ✓ | P11230 | 3/20 | 0.85 |
| ▸ | CHRNB4 known ✓ | P30926 | 3/20 | 0.85 |
| ▸ | CHRNA3 known ✓ | P32297 | 3/20 | 0.85 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.65 |
| ▸ | PRKCG known ✓ | P05129 | 1/20 | 0.65 |
| ▸ | PRKCD known ✓ | Q05655 | 1/20 | 0.65 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.65 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.85 |
| ▸ | CHRNB3 | Q05901 | 3/20 | 0.85 |
| ▸ | AKT1 | P31749 | 5/20 | 0.65 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.65 |
| ▸ | PIM1 | P11309 | 1/20 | 0.65 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.65 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.65 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.65 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.65 |
| ▸ | STK3 | Q13188 | 1/20 | 0.65 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.65 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.65 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL6583520 | 0.99 | CHRNB2 (0.87) | CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3 | |
| Hydrochloric Acid SCHEMBL6585314 | 0.93 | CHRNB2 (0.98) | CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3 | |
| Hydrochloric Acid SCHEMBL6585317 | 0.93 | CHRNB2 (0.98) | CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3 | |
| SCHEMBL6583359 | 0.92 | CHRNB2 (1.00) | CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3 | |
| SCHEMBL6583361 | 0.92 | CHRNB2 (1.00) | CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3 | |
| Hydrochloric Acid SCHEMBL6584652 | 0.84 | CHRNB2 (0.98) | CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3 | |
| SCHEMBL6588752 | 0.83 | CHRNB2 (1.00) | CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3 | |
| SCHEMBL6583448 | 0.83 | CHRNB2 (1.00) | CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3 | |
| SCHEMBL6583713 | 0.83 | CHRNB2 (1.00) | CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3 | |
| Trifluoroacetic Acid SCHEMBL6833540 | 0.82 | CHRNB2 (0.77) | CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6437138-B1 | 5-BROMO-6-CHLORO-3-(2-(S)-AZETIDINYL OR PYRROLIDINYL-METHOXY) PYRIDINE INTERMEDIATES FOR THE 5-SUBSTITUTED COMPOUNDS WHICH ARE POTENT LIGANDS AT NEURONAL NICOTINIC CHOLINERGIC CHANNEL RECEPTORS, NEUROTRANSMITTER CONTROLLING AGENTS | ABBOTT LABORATORIES | 2002-08-20 | — | — | US | disclosed |
| US-6127386-A | STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS | ABBOTT LABORATORIES (US) | 2000-10-03 | — | — | US | disclosed |
| EP-0934308-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1997046554-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1997-12-11 | — | — | WO | disclosed |
| US-5629325-A | TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS | ABBOTT LABORATORIES (US) | 1997-05-13 | — | — | US | disclosed |