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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.64 |
| ▸ | NPC1 | O15118 | 6/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | HPGD | P15428 | 5/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | PTPN2 | P17706 | 3/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.60 |
| ▸ | PTPN5 | P54829 | 3/20 | 0.60 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.60 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.54 |
| ▸ | MMP8 | P22894 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
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 SCHEMBL28796753 | 0.99 | RAB9A (0.63) | RAB9ANPC1KDM4EALDH1A1HPGD | |
| 2-Phenylbenzo[D]Oxazole SCHEMBL5462415 | 0.89 | RAB9A (0.68) | RAB9ANPC1KDM4EALDH1A1HPGD | |
| SCHEMBL4161510 | 0.89 | NPC1 (0.69) | RAB9ANPC1KDM4EALDH1A1HPGD | |
| Methane SCHEMBL9820150 | 0.88 | NPC1 (0.67) | RAB9ANPC1KDM4EALDH1A1HPGD | |
| Acetic Acid SCHEMBL27850173 | 0.84 | RAB9A (0.63) | RAB9ANPC1KDM4EALDH1A1HPGD | |
| SCHEMBL13067676 | 0.83 | NPC1 (0.66) | RAB9ANPC1KDM4EALDH1A1HPGD | |
| SCHEMBL9680824 | 0.82 | NPC1 (0.72) | RAB9ANPC1KDM4EALDH1A1HPGD | |
| 2-Phenylbenzo[D]Oxazole SCHEMBL11136013 | 0.81 | NPC1 (0.66) | RAB9ANPC1KDM4EALDH1A1HPGD | |
| SCHEMBL24037821 | 0.81 | NPC1 (0.58) | RAB9ANPC1KDM4EALDH1A1HPGD | |
| SCHEMBL24037819 | 0.81 | NPC1 (0.58) | RAB9ANPC1KDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0182061-B1 | NEW PROCESS FOR PREPARING 2(4-FLUOROPHENYL) ALPHA METHYL-5-BENZOXAZOLE ACETIC ACID | RAVIZZA S.p.A. (IT) | 1991-12-27 | — | — | EP | disclosed |
| EP-0182061-A1 | New process for preparing 2(4-fluorophenyl) alpha methyl-5-benzoxazole acetic acid | RAVIZZA S.p.A. (IT) | 1986-05-28 | — | — | EP | disclosed |