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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 4/20 | 0.41 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 3/20 | 0.41 |
| ▸ | F10 | P00742 | 3/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2893839 | 0.92 | F2 (0.46) | P2RX3HSD17B14F2F10PRSS1 | |
| SCHEMBL27111302 | 0.82 | P2RX3 (0.45) | P2RX3F2F10PRSS1PRSS2 | |
| SCHEMBL10841713 | 0.82 | F2 (0.44) | HSD17B14F2F10PRSS1PRSS2 | |
| SCHEMBL11275809 | 0.82 | ALDH1A1 (0.47) | HSD17B14F2F10PRSS1PRSS2 | |
| SCHEMBL10871695 | 0.81 | FFAR1 (0.53) | HSD17B14F2F10PRSS1PRSS2 | |
| SCHEMBL30686419 | 0.81 | SRD5A2 (0.49) | P2RX3F2F10PRSS1PRSS2 | |
| SCHEMBL27111300 | 0.81 | SRD5A2 (0.49) | P2RX3F2F10PRSS1PRSS2 | |
| SCHEMBL10653082 | 0.80 | KDM4E (0.44) | HSD17B14L3MBTL1OPRM1PPARGGAA | |
| SCHEMBL6614548 | 0.80 | ALOX5 (0.45) | HSD17B14F2F10PRSS1PRSS2 | |
| Acetic Acid SCHEMBL6984469 | 0.79 | NPSR1 (0.53) | KCNH2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-55092370-A | — | — | None | — | — | JP | disclosed |
| US-4251662-A | INSECTICIDES, MITICIDES | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1981-02-17 | — | — | US | disclosed |
| JP-S5592370-A | PHENOXYPYRIDINE DERIVATIVE AND ITS PREPARATION | NISSAN CHEM IND LTD | 1980-07-12 | — | — | JP | disclosed |