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 | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 2/20 | 0.55 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.55 |
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 2/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8669158 | 0.95 | FFAR1 (0.59) | FFAR1FFAR4GPR84NFKB1CA2 | |
| Acetic Acid SCHEMBL672595 | 0.88 | FFAR1 (0.70) | FFAR1FFAR4GPR84NFKB1CA2 | |
| SCHEMBL78215 | 0.87 | — | — | |
| SCHEMBL27807433 | 0.87 | — | — | |
| SCHEMBL6827243 | 0.87 | — | — | |
| 3-Heptanol SCHEMBL125720 | 0.86 | CA2 (0.52) | FFAR1FFAR4GPR84NFKB1CA2 | |
| Acetic Acid SCHEMBL4019504 | 0.86 | FFAR1 (0.73) | FFAR1FFAR4GPR84NFKB1FAAH | |
| Acetic Acid SCHEMBL28392186 | 0.86 | FFAR1 (0.73) | FFAR1FFAR4GPR84NFKB1FAAH | |
| Acetic Acid SCHEMBL29020019 | 0.86 | FFAR1 (0.73) | FFAR1FFAR4GPR84NFKB1FAAH | |
| Acetic Acid SCHEMBL28707278 | 0.86 | FFAR1 (0.73) | FFAR1FFAR4GPR84NFKB1FAAH |
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 |
|---|---|---|---|---|---|---|---|
| US-5808115-A | Carbodiimide-promoted epoxidation of olefins | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) | 1998-09-15 | — | — | US | disclosed |