Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 SCHEMBL1512332 | 0.94 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL282695 | 0.94 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL16636891 | 0.94 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL10448153 | 0.94 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL10069014 | 0.93 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL5217160 | 0.93 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL1702621 | 0.93 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Pyrrole SCHEMBL28099762 | 0.81 | CHRNB2 (0.35) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Acetic Acid SCHEMBL6729875 | 0.81 | MAPT (0.43) | MAPTPKMCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17560420 | 0.79 | CHRNB2 (0.34) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |