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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3368716 | 0.95 | TSHR (0.50) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL28064194 | 0.83 | TSHR (0.40) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL8965587 | 0.80 | TSHR (0.50) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL9869609 | 0.80 | ATM (0.47) | TSHRALDH1A1CYP3A4SMN1; SMN2LMNA | |
| SCHEMBL9869612 | 0.80 | ATM (0.47) | TSHRALDH1A1CYP3A4SMN1; SMN2LMNA | |
| Acetic Acid SCHEMBL29199856 | 0.80 | ALDH1A1 (0.40) | TSHRALDH1A1CYP3A4HSD17B10SMN1; SMN2 | |
| Acetic Acid SCHEMBL3361156 | 0.79 | TSHR (0.70) | TSHRHPGDALDH1A1TP53HIF1A | |
| Propene SCHEMBL29089347 | 0.79 | ALDH1A1 (0.36) | TSHRALDH1A1CYP3A4HSD17B10SMN1; SMN2 | |
| SCHEMBL108963 | 0.79 | TSHR (0.48) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL31661115 | 0.78 | TSHR (0.52) | TSHRHPGDALDH1A1TP53HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-103765254-B | Colored resin composition and resin black matrix substrate | TORAY INDUSTRIES, INC. (JP) | 2016-04-06 | — | — | CN | disclosed |