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 | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7345216 | 0.80 | AR (0.41) | CTSSCTSKMEN1CHRM4POLB | |
| SCHEMBL7341548 | 0.73 | SLC18A3 (0.58) | CHRM4HRH3CHRM2 | |
| SCHEMBL7341559 | 0.73 | SLC18A3 (0.58) | CHRM4HRH3CHRM2 | |
| SCHEMBL7341544 | 0.73 | SLC18A3 (0.58) | CHRM4HRH3CHRM2 | |
| SCHEMBL12631525 | 0.72 | KDM4E (0.61) | CTSSCTSKKDM4ETP53HRH3 | |
| SCHEMBL7342448 | 0.71 | SLC18A3 (0.50) | CTSSCTSKKDM4ETP53HRH3 | |
| SCHEMBL7342460 | 0.71 | SLC18A3 (0.50) | CTSSCTSKKDM4ETP53HRH3 | |
| SCHEMBL7342452 | 0.71 | SLC18A3 (0.50) | CTSSCTSKKDM4ETP53HRH3 | |
| SCHEMBL8783534 | 0.70 | PANK3 (0.36) | CTSSCTSKCHRM4POLBCCR5 | |
| SCHEMBL8783617 | 0.69 | POLB (0.46) | CTSSCTSKKDM4ETP53CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0542363-A2 | Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation | GLAXO GROUP LIMITED (GB) | 1993-05-19 | — | — | EP | disclosed |