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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
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 SCHEMBL29145902 | 0.95 | FFAR3 (0.35) | FFAR3LCKFYNALDH1A1HPGD | |
| Hydrogen Peroxide SCHEMBL15799188 | 0.87 | LMNA (0.32) | ALDH1A1HPGD | |
| Hydrogen Peroxide SCHEMBL15799186 | 0.87 | — | — | |
| Methacrylic Acid SCHEMBL3269559 | 0.86 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL8897524 | 0.84 | CA1 (0.32) | ALDH1A1KMT2A | |
| SCHEMBL36141 | 0.84 | — | — | |
| SCHEMBL22043013 | 0.84 | CA1 (0.32) | ALDH1A1KMT2A | |
| SCHEMBL28092529 | 0.84 | CA1 (0.32) | ALDH1A1KMT2A | |
| SCHEMBL9568053 | 0.84 | CA1 (0.32) | ALDH1A1KMT2A | |
| SCHEMBL610228 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5760136-A | FORMING AN ADDITION-CONDENSATION COPOLYMER BY POLYMERIZING AN AZO-CONTAINING POLYSILOXANE AND AN UNSATURATED MONOMER; CATIONIC AND NONIONIC POLYMERS; POLYAMPHOLYTES; COATINGS; ADHESIVES; PAINTS; HAIR COSMETICS | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-02 | — | — | US | claimed |
| EP-0779318-B1 | Silicon-containing block copolymer | WAKO PURE CHEMICAL INDUSTIES L (JP) | 2000-02-16 | — | — | EP | disclosed |
| EP-0779318-A1 | Silicon-containing block copolymer | Wako Pure Chemical Industries, Ltd. (JP) | 1997-06-18 | — | — | EP | disclosed |