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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.30 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL410734 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL7719802 | 0.90 | ALDH1A1 (0.39) | ALDH1A1LMNAALOX15BLMPMP22 | |
| Trifluoroacetic Acid SCHEMBL6886600 | 0.82 | NOS1 (0.33) | ALDH1A1 | |
| Acetic Acid SCHEMBL7719707 | 0.78 | FFAR3 (0.50) | ALDH1A1FFAR3LCKFYNLMNA | |
| SCHEMBL283475 | 0.74 | ALDH1A1 (0.48) | ALDH1A1PMP22CHRNB2CHRNB4CHRNA4 | |
| Acetic Acid SCHEMBL321484 | 0.74 | GLRA1 (0.40) | ALDH1A1FFAR3LCKFYNLMNA | |
| SCHEMBL56374 | 0.73 | — | — | |
| SCHEMBL53024 | 0.73 | — | — | |
| SCHEMBL6050366 | 0.73 | — | — | |
| SCHEMBL9119358 | 0.72 | ALOX15 (0.35) | ALDH1A1LMNAALOX15BLMPMP22 |
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-6395737-B1 | ANTICOAGULANTS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-05-28 | — | — | US | disclosed |