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 | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 2/20 | 0.83 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.80 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.80 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.80 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.80 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | TYR | P14679 | 1/20 | 0.57 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.46 |
| ▸ | GLRB | P48167 | 1/20 | 0.46 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL34162 | 0.91 | HSPA5 (1.00) | HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2 | |
| SCHEMBL29415372 | 0.91 | HSPA5 (1.00) | HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2 | |
| SCHEMBL29351672 | 0.91 | HSPA5 (1.00) | HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2 | |
| SCHEMBL11247674 | 0.89 | CYP2C9 (1.00) | HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2 | |
| SCHEMBL29410654 | 0.89 | HSPA5 (0.96) | HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2 | |
| SCHEMBL39149 | 0.89 | CYP2C9 (1.00) | HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2 | |
| SCHEMBL29357108 | 0.89 | CYP2C9 (1.00) | HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2 | |
| Acrylic Acid SCHEMBL466170 | 0.87 | HSPA5 (0.73) | HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2 | |
| Terephthalic Acid SCHEMBL4625134 | 0.87 | HSPA5 (0.73) | HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2 | |
| Acrylic Acid SCHEMBL9820642 | 0.87 | HSPA5 (0.73) | HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5681689-A | COUPLING WITH OXIDIZED COLOR DEVELOPER | EASTMAN KODAK COMPANY (US) | 1997-10-28 | — | — | US | disclosed |
| EP-0144477-B1 | METHOD FOR PRODUCING BISPHENOL DERIVATIVES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-03-18 | — | — | EP | disclosed |
| US-4562281-A | Production of bisphenol derivatives | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-12-31 | — | — | US | disclosed |
| EP-0144477-A1 | Method for producing bisphenol derivatives | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-06-19 | — | — | EP | disclosed |