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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.53 |
| ▸ | HPGD | P15428 | 8/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.53 |
| ▸ | CA12 | O43570 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 4/20 | 0.53 |
| ▸ | GLA | P06280 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 4/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CASP1 | P29466 | 2/20 | 0.53 |
| ▸ | CASP7 | P55210 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Lysine SCHEMBL4187796 | 0.86 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDHSD17B10CA12 | |
| SCHEMBL7213222 | 0.85 | ERAP2 (0.50) | ALDH1A1KDM4EHPGDHSD17B10CA12 | |
| SCHEMBL4182456 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDHSD17B10CA12 | |
| Acetic Acid SCHEMBL29544112 | 0.83 | CA12 (0.57) | ALDH1A1KDM4EHPGDHSD17B10CA12 | |
| Acetic Acid SCHEMBL29577931 | 0.83 | CA12 (0.57) | ALDH1A1KDM4EHPGDHSD17B10CA12 | |
| Lysine SCHEMBL6425927 | 0.83 | ALDH1A1 (0.60) | ALDH1A1KDM4EHPGDHSD17B10CA12 | |
| SCHEMBL4626505 | 0.82 | GHSR (0.46) | ALDH1A1KDM4EHPGDHSD17B10CA12 | |
| SCHEMBL19117207 | 0.81 | CA12 (0.60) | ALDH1A1KDM4EHPGDHSD17B10CA12 | |
| Ornithine SCHEMBL6427980 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDHSD17B10CA12 | |
| Ornithine SCHEMBL4189046 | 0.79 | ALDH1A1 (0.60) | ALDH1A1KDM4EHPGDHSD17B10CA12 |
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-1352083-A2 | COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE | BioControl Systems, Inc. (US) | 2003-10-15 | — | — | EP | claimed |
| WO-2002018625-A2 | COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE | BIOCONTROL SYSTEMS, INC. (US) | 2002-03-07 | — | — | WO | claimed |