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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 SCHEMBL1487896 | 0.98 | NOTUM (0.35) | NOTUMHCAR2SMN1; SMN2ALDH1A1KDM4E | |
| Bromide SCHEMBL8068623 | 0.79 | — | — | |
| Acetic Acid SCHEMBL4396427 | 0.77 | PNP (0.34) | NOTUMHCAR2SMN1; SMN2ALDH1A1KDM4E | |
| Acetic Acid SCHEMBL11221125 | 0.74 | TP53 (0.33) | NOTUMHCAR2SMN1; SMN2KDM4E | |
| Water SCHEMBL2643978 | 0.70 | HCAR2 (0.41) | NOTUMHCAR2ALDH1A1KDM4EHSP90AA1 | |
| Acetic Acid SCHEMBL21996139 | 0.69 | PARP1 (0.38) | HCAR2ALDH1A1KDM4ETDP1 | |
| SCHEMBL2854030 | 0.68 | NOTUM (0.32) | NOTUM | |
| SCHEMBL5151745 | 0.68 | NPC1 (0.32) | NOTUM | |
| SCHEMBL1040746 | 0.68 | NOTUM (0.32) | NOTUMHCAR2 | |
| SCHEMBL20571366 | 0.67 | CREBBP (0.39) | SMN1; SMN2ALDH1A1KDM4E |
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-6040009-A | SOLVENTS, POLYESTER RESIN, STAR OLIGOMER AND CURING AGENTS | MAZDA MOTOR CORPORATION (JP) | 2000-03-21 | — | — | US | disclosed |