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 | |
|---|---|---|---|---|
| ▸ | ASAH2 | Q9NR71 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | THRB | P10828 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10697469 | 0.91 | ASAH2 (0.42) | ASAH2MAPTTP53CYP2D6MAPK1 | |
| SCHEMBL10697463 | 0.91 | ASAH2 (0.42) | ASAH2MAPTTP53CYP2D6MAPK1 | |
| Butyric Acid SCHEMBL10697467 | 0.87 | ASAH2 (0.47) | ASAH2MAPTCYP1A2CYP2C9CYP2C19 | |
| Acetic Acid SCHEMBL10698331 | 0.84 | MAPT (0.57) | ASAH2MAPTTP53CYP2D6MAPK1 | |
| SCHEMBL17350089 | 0.82 | PPARG (0.34) | ASAH2MAPTTP53CYP2D6MAPK1 | |
| SCHEMBL17350090 | 0.82 | PPARG (0.34) | ASAH2MAPTTP53CYP2D6MAPK1 | |
| Acetic Acid SCHEMBL27497153 | 0.75 | PPARG (0.40) | MAPTMAPK1CYP1A2LMNAUSP2 | |
| Hydrochloric Acid SCHEMBL11767811 | 0.73 | SPHK2 (0.58) | ASAH2MAPTTP53CYP2D6MAPK1 | |
| SCHEMBL10699279 | 0.73 | SPHK2 (0.62) | ASAH2MAPTTP53CYP2D6MAPK1 | |
| SCHEMBL10699276 | 0.73 | SPHK2 (0.62) | ASAH2MAPTTP53CYP2D6MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0283946-A1 | Novel intermediates useful in preparing vitamin E | F. HOFFMANN-LA ROCHE AG (CH) | 1988-09-28 | — | — | EP | disclosed |