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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.49 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.49 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | PRNP | P04156 | 2/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.49 |
| ▸ | MGAM | O43451 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL140815 | 0.95 | CYP1A2 (0.65) | CYP1A2PTGDR2AKR1B1MEN1KMT2A | |
| Anthracene SCHEMBL10418177 | 0.90 | CYP1A2 (0.59) | CYP1A2PTGDR2AKR1B1MEN1KMT2A | |
| Sulfuric Acid SCHEMBL28294784 | 0.88 | CYP1A2 (0.58) | CYP1A2PTGDR2AKR1B1MEN1KMT2A | |
| SCHEMBL4623799 | 0.86 | CYP1A2 (0.68) | CYP1A2PTGDR2MEN1KMT2AMAPT | |
| SCHEMBL9480225 | 0.82 | CYP1A2 (0.62) | CYP1A2MEN1KMT2AMAPTNPC1 | |
| SCHEMBL14805320 | 0.82 | CYP1A2 (0.67) | CYP1A2AKR1B1MEN1KMT2AMAPT | |
| Acetic Acid SCHEMBL3951221 | 0.81 | GPBAR1 (0.58) | CYP1A2AKR1B1CYSLTR1CYSLTR2GPBAR1 | |
| SCHEMBL1695706 | 0.81 | AKR1B1 (0.56) | CYP1A2PTGDR2AKR1B1NPC1RAB9A | |
| SCHEMBL28635312 | 0.81 | CYP1A2 (0.61) | CYP1A2AKR1B1MEN1KMT2AMAPT | |
| SCHEMBL547194 | 0.81 | FFAR1 (0.63) | CYP1A2AKR1B1CYSLTR1CYSLTR2GPBAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1129648-C | Latent catalysts for epoxy curing systems | DOW WORLDWIDE TECHNOLOGIES CO (US) | 2003-12-03 | — | — | CN | disclosed |
| CN-1249772-A | Latent catalysts for epoxy curing systems | DOW CHEMICAL CO (US) | 2000-04-05 | — | — | CN | disclosed |