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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL35307 | 0.94 | — | — | |
| Methacrylic Acid SCHEMBL10536704 | 0.87 | ALDH1A1 (0.33) | ALDH1A1 | |
| Acetamide SCHEMBL2554280 | 0.86 | LMNA (0.42) | ALDH1A1LMNA | |
| Acrylamide SCHEMBL7456424 | 0.82 | ALDH1A1 (0.52) | ALDH1A1LMNA | |
| SCHEMBL10799116 | 0.82 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL9716844 | 0.82 | — | — | |
| SCHEMBL2162008 | 0.80 | ALDH1A1 (0.32) | ALDH1A1 | |
| Acrylic Acid SCHEMBL5083639 | 0.80 | ALDH1A1 (0.38) | ALDH1A1 | |
| Acrylamide SCHEMBL29171645 | 0.80 | ALDH1A1 (0.50) | ALDH1A1LMNA | |
| SCHEMBL10798894 | 0.79 | ALDH1A1 (0.31) | ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0649941-B2 | Pitch control in paper mill systems | NALCO CHEMICAL CO (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-0649941-B1 | Pitch control in paper mill systems | NALCO CHEMICAL CO (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0169674-B2 | Polymer powders | ALLIED COLLOIDS LTD (GB) | 1996-11-20 | — | — | EP | disclosed |
| EP-0739881-A2 | Piperidine derivatives | KOWA CO. LTD. (JP) | 1996-10-30 | — | — | EP | disclosed |
| EP-0169674-B1 | POLYMER POWDERS | Ciba Specialty Chemicals Water Treatments Limited (GB) | 1990-05-09 | — | — | EP | disclosed |
| US-4778836-A | WATER SOLUBLE ANIONIC OR CATIONIC ACRYLIC POLYMERS AS ANTIAGGLOMERANTS | ALLIED COLLOIDS LIMITED (GB) | 1988-10-18 | — | — | US | disclosed |
| EP-0169674-A2 | Polymer powders | Ciba Specialty Chemicals Water Treatments Limited (GB) | 1986-01-29 | — | — | EP | disclosed |