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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL3770975 | 0.87 | NOS2 (0.42) | EPHX1NOS2 | |
| Iodide SCHEMBL11619690 | 0.85 | NOS2 (0.40) | EPHX1NOS2 | |
| Cyanide SCHEMBL9498025 | 0.81 | NOS2 (0.37) | NOS2 | |
| SCHEMBL27393193 | 0.79 | NOS2 (0.36) | NOS2 | |
| SCHEMBL8789579 | 0.73 | CES2 (0.38) | KMT2AEPHX1CES2CES1 | |
| SCHEMBL8788775 | 0.73 | CES2 (0.38) | KMT2AEPHX1CES2CES1 | |
| SCHEMBL2142264 | 0.73 | CES2 (0.38) | KMT2AEPHX1CES2CES1 | |
| SCHEMBL11784109 | 0.73 | EPHX1 (0.41) | KMT2AEPHX1CES2CES1 | |
| SCHEMBL20623601 | 0.73 | EPHX1 (0.41) | KMT2AEPHX1CES2CES1 | |
| Cyclohexylamine SCHEMBL28048687 | 0.72 | MMP8 (0.39) | EPHX1NOS2CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4148814-A | Process for preparing monohydrocarbyltin trihalides | PENNWALT CORPORATION (US) | 1979-04-10 | — | — | US | disclosed |