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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | ASAH2 | Q9NR71 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 0.54 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.54 |
| ▸ | CETP | P11597 | 4/20 | 0.54 |
| ▸ | THRB | P10828 | 3/20 | 0.54 |
| ▸ | GMNN | O75496 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | CXCR5 | P32302 | 2/20 | 0.54 |
| ▸ | CCR6 | P51684 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10699276 | 0.91 | SPHK2 (0.62) | MAPTCYP2D6MAPK1TP53CYP1A2 | |
| SCHEMBL10699279 | 0.91 | SPHK2 (0.62) | MAPTCYP2D6MAPK1TP53CYP1A2 | |
| SCHEMBL17703964 | 0.91 | SPHK2 (0.62) | MAPTCYP2D6MAPK1TP53CYP1A2 | |
| Hydrochloric Acid SCHEMBL11767811 | 0.87 | SPHK2 (0.58) | MAPTCYP2D6MAPK1TP53CYP1A2 | |
| Hydrochloric Acid SCHEMBL11767806 | 0.87 | SPHK2 (0.58) | MAPTCYP2D6MAPK1TP53CYP1A2 | |
| Acetic Acid SCHEMBL10697760 | 0.84 | ASAH2 (0.44) | MAPTCYP2D6MAPK1TP53CYP1A2 | |
| SCHEMBL4062277 | 0.83 | SPHK2 (0.52) | MAPTCYP2D6MAPK1TP53CYP1A2 | |
| SCHEMBL4118323 | 0.83 | SPHK2 (0.52) | MAPTCYP2D6MAPK1TP53CYP1A2 | |
| SCHEMBL11960050 | 0.83 | SPHK2 (0.52) | MAPTCYP2D6MAPK1TP53CYP1A2 | |
| SCHEMBL4118327 | 0.83 | SPHK2 (0.52) | MAPTCYP2D6MAPK1TP53CYP1A2 |
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 |