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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 known ✓ | Q92731 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 4/20 | 0.37 |
| ▸ | CES1 | P23141 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL17165311 | 0.96 | CYP3A4 (0.39) | CYP3A4TDP1CES2CES1CA2 | |
| Acetic Acid SCHEMBL4555802 | 0.96 | CYP3A4 (0.39) | CYP3A4TDP1CES2CES1CA2 | |
| Acetic Acid SCHEMBL986736 | 0.88 | CYP3A4 (0.36) | CYP3A4TDP1CES2CES1CA2 | |
| Acetic Acid SCHEMBL29655056 | 0.88 | CYP3A4 (0.36) | CYP3A4TDP1CES2CES1CA2 | |
| Acetic Acid SCHEMBL987294 | 0.88 | CYP3A4 (0.36) | CYP3A4TDP1CES2CES1CA2 | |
| Pyruvate SCHEMBL9803816 | 0.88 | CA4 (0.39) | CYP3A4TDP1CES2CES1CA2 | |
| Acetic Acid SCHEMBL29655078 | 0.88 | CYP3A4 (0.36) | CYP3A4TDP1CES2CES1CA2 | |
| Acetic Acid SCHEMBL9803960 | 0.87 | ALDH1A1 (0.39) | CYP3A4TDP1CES2CES1ALDH1A1 | |
| Acetic Acid SCHEMBL30885078 | 0.87 | ALDH1A1 (0.39) | CYP3A4TDP1CES2CES1ALDH1A1 | |
| Acetic Acid SCHEMBL1075968 | 0.87 | ALDH1A1 (0.39) | CYP3A4TDP1CES2CES1ALDH1A1 |
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-5037812-A | Anticarcinogenic agents; animals | SMITHKLINE BECKMAN CORPORATION (US) | 1991-08-06 | — | — | US | disclosed |