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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NOX1 | Q9Y5S8 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 2/20 | 0.41 |
| ▸ | CYBB | P04839 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.41 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL611950 | 0.90 | GAA (0.45) | GAAALOX15MEN1KMT2ANOX1 | |
| Pivalate SCHEMBL9838291 | 0.89 | HSD17B10 (0.38) | GAAALOX15MEN1KMT2ANOX1 | |
| Phenothiazine SCHEMBL28750254 | 0.73 | NOX1 (0.71) | GAAALOX15MEN1KMT2ANOX1 | |
| SCHEMBL10752613 | 0.72 | TYMS (0.41) | GAAALOX15MEN1KMT2ANOX1 | |
| Phenothiazine SCHEMBL8158378 | 0.72 | NOX1 (0.68) | GAAALOX15MEN1KMT2ANOX1 | |
| SCHEMBL56711 | 0.71 | GAA (0.48) | GAAALOX15MEN1KMT2ANOX1 | |
| Phenothiazine SCHEMBL9809707 | 0.66 | NOX1 (0.71) | GAAALOX15MEN1KMT2ANOX1 | |
| SCHEMBL8874017 | 0.65 | GSK3B (0.56) | GAAMEN1KMT2ANOX1MAPT | |
| Acetic Acid SCHEMBL29870582 | 0.65 | GSK3A (0.65) | — | |
| SCHEMBL8874013 | 0.65 | GSK3B (0.56) | GAAMEN1KMT2ANOX1MAPT |
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-0433683-A2 | Use of benzothiazepines as potentiators of anti-cancer drugs | MARION MERRELL DOW INC. (US) | 1991-06-26 | — | — | EP | claimed |