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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL10484356 | 1.00 | ALDH1A1 (0.33) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| Acetic Acid SCHEMBL10484203 | 1.00 | ALDH1A1 (0.33) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| Acetic Acid SCHEMBL10484160 | 1.00 | ALDH1A1 (0.33) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL631203 | 0.88 | — | — | |
| SCHEMBL16338933 | 0.88 | — | — | |
| Acetic Acid SCHEMBL10484312 | 0.75 | FFAR3 (0.39) | ALDH1A1TP53FFAR3LCKFYN | |
| Acetic Acid SCHEMBL10484270 | 0.75 | FFAR3 (0.39) | ALDH1A1TP53FFAR3LCKFYN | |
| Deanol SCHEMBL4621901 | 0.75 | FFAR3 (0.44) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| Acetic Acid SCHEMBL22346335 | 0.72 | FFAR3 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Acetic Acid SCHEMBL5532865 | 0.72 | FFAR3 (0.41) | TP53FFAR3LCKFYNCYP1A2 |
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-4810727-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-03-07 | — | — | US | disclosed |