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 | 3/20 | 0.54 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 4/20 | 0.75 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.53 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29374773 | 0.87 | AHR (1.00) | AHRENPP2KDM4EALDH1A1HPGD | |
| SCHEMBL147423 | 0.87 | AHR (1.00) | AHRENPP2KDM4EALDH1A1HPGD | |
| Acetic Acid SCHEMBL27942661 | 0.86 | AHR (0.75) | AHRENPP2KDM4EALDH1A1HPGD | |
| Methane SCHEMBL27929610 | 0.85 | AHR (0.95) | AHRENPP2KDM4EALDH1A1HPGD | |
| Acetic Acid SCHEMBL23646038 | 0.80 | TYR (0.78) | AHRENPP2KDM4EALDH1A1HPGD | |
| Acetic Acid SCHEMBL9120361 | 0.79 | AHR (0.75) | AHRENPP2KDM4EALDH1A1HPGD | |
| Acetic Acid SCHEMBL9119235 | 0.79 | AHR (0.75) | AHRENPP2KDM4EALDH1A1HPGD | |
| Acetic Acid SCHEMBL9409744 | 0.77 | HRH4 (0.47) | AHRKDM4EHRH4 | |
| Ethane SCHEMBL28964524 | 0.77 | AHR (0.72) | AHRENPP2KDM4EALDH1A1HPGD | |
| SCHEMBL4809420 | 0.76 | ESR1 (0.62) | AHRENPP2KDM4EALDH1A1HPGD |
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-1675064-A | High speed negative-working thermal printing plates | KODAK POLYCHROME GRAPHICS LLC (US) | 2005-09-28 | — | — | CN | disclosed |