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 | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.30 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | RRM1 | P23921 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA6 | P23280 | 2/20 | 0.31 |
| ▸ | CA7 | P43166 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | ANPEP | P15144 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL40807 | 0.85 | CA1 (0.39) | GABRR1CA1CA2CA4ALDH1A1 | |
| Acetic Acid SCHEMBL1451846 | 0.85 | CA1 (0.39) | GABRR1CA1CA2CA4ALDH1A1 | |
| Acetic Acid SCHEMBL5251111 | 0.83 | CA1 (0.38) | GABRR1CA1ALDH1A1 | |
| Acetic Acid SCHEMBL29012711 | 0.81 | CA12 (0.40) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL2873752 | 0.81 | CA12 (0.40) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL11535921 | 0.81 | CA1 (0.35) | GABRR1CA1CA4ALDH1A1 | |
| Acetic Acid SCHEMBL2012317 | 0.81 | CA1 (0.35) | GABRR1CA1ALDH1A1 | |
| Acetic Acid SCHEMBL10890984 | 0.81 | CA1 (0.35) | GABRR1CA1ALDH1A1 | |
| Acetic Acid SCHEMBL2013456 | 0.81 | CA1 (0.35) | GABRR1CA1ALDH1A1 | |
| Acetic Acid SCHEMBL356287 | 0.81 | CA12 (0.48) | PAOXCA12CA6CA7CA9 |
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-6395698-B1 | MIXTURE CONTAINING QUATERNARY AMMONIUM COMPOUND | MASON CHEMICAL COMPANY | 2002-05-28 | — | — | US | disclosed |