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 | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.60 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.56 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
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 SCHEMBL28586661 | 1.00 | SLC22A1 (0.65) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Acetic Acid SCHEMBL27951358 | 1.00 | SLC22A1 (0.65) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrahexylammonium SCHEMBL635372 | 1.00 | SLC22A1 (0.65) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Acetic Acid SCHEMBL636396 | 1.00 | SLC22A1 (0.65) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Acetic Acid SCHEMBL5210557 | 1.00 | SLC22A1 (0.65) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Acetic Acid SCHEMBL4329690 | 1.00 | SLC22A1 (0.65) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Acetic Acid SCHEMBL30698147 | 0.98 | SLC22A1 (0.62) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Acetic Acid SCHEMBL30698149 | 0.98 | SLC22A1 (0.62) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Acetic Acid SCHEMBL8377274 | 0.98 | SLC22A1 (0.62) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Acetic Acid SCHEMBL27957644 | 0.98 | SLC22A1 (0.62) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0667366-B1 | Process for the production of aromatic polycarbonate | TEIJIN LTD (JP) | 2002-06-26 | — | — | EP | disclosed |
| US-5516878-A | CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD | TEIJIN LIMITED (JP) | 1996-05-14 | — | — | US | disclosed |
| EP-0667366-A2 | Process for the production of aromatic polycarbonate | TEIJIN LIMITED (JP) | 1995-08-16 | — | — | EP | disclosed |