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 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | RXRG | P48443 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | RBP4 | P02753 | 2/20 | 0.33 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL246897 | 0.95 | TDP1 (0.40) | TDP1ATMCYP3A4MAPTPOLB | |
| Fumaric Acid SCHEMBL7563314 | 0.91 | SMN1; SMN2 (0.40) | TDP1ATMCYP3A4MAPTPOLB | |
| Fumaric Acid SCHEMBL7563318 | 0.91 | SMN1; SMN2 (0.40) | TDP1ATMCYP3A4MAPTPOLB | |
| Vinyl Ether SCHEMBL23088820 | 0.91 | TDP1 (0.37) | TDP1ATMCYP3A4MAPTPOLB | |
| Crotonic Acid SCHEMBL8640256 | 0.86 | TDP1 (0.33) | TDP1ATMCYP3A4MAPTPOLB | |
| Acetic Acid SCHEMBL27451410 | 0.85 | CYP3A4 (0.48) | TDP1CYP3A4ALDH1A1TSHRKDM4E | |
| SCHEMBL27473151 | 0.83 | KDM4E (0.42) | TDP1ATMMAPTALDH1A1TSHR | |
| SCHEMBL7943458 | 0.82 | GLRA3 (0.37) | TDP1ATMCYP3A4MAPTPOLB | |
| SCHEMBL7943455 | 0.81 | CYP3A4 (0.37) | TDP1ATMCYP3A4MAPTPOLB | |
| SCHEMBL1899482 | 0.81 | CYP3A4 (0.37) | TDP1ATMCYP3A4MAPTPOLB |
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-5989570-A | Cosmetic and dermatological compositions containing a plasticizing oligomer and a film-forming polymer and uses thereof | L'OREAL (FR) | 1999-11-23 | — | — | US | disclosed |