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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 7/20 | 0.39 |
| ▸ | CES1 | P23141 | 7/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALPG | P10696 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Propane SCHEMBL7939002 | 0.83 | TDP1 (0.48) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| Acetic Acid SCHEMBL8682351 | 0.81 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Acetic Acid SCHEMBL8693165 | 0.81 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Acetic Acid SCHEMBL28437878 | 0.81 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Acetic Acid SCHEMBL11476237 | 0.81 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Acetic Acid SCHEMBL366510 | 0.81 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Acetic Acid SCHEMBL8425843 | 0.81 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Acetic Acid SCHEMBL57505 | 0.81 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Acetic Acid SCHEMBL11476234 | 0.81 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Acetic Acid SCHEMBL29980367 | 0.81 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086173-A1 | THERMOPLASTIC NANOCOMPOSITES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999060057-A1 | THERMOPLASTIC NANOCOMPOSITES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-25 | — | — | WO | disclosed |