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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 3/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6125258 | 0.89 | — | — | |
| SCHEMBL4135508 | 0.89 | — | — | |
| SCHEMBL740693 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL27847677 | 0.87 | CA2 (0.48) | CA2TMEM97SIGMAR1ALDH1A1NPSR1 | |
| Acetic Acid SCHEMBL15955948 | 0.86 | CA2 (0.46) | CA2TMEM97SIGMAR1ALDH1A1NPSR1 | |
| SCHEMBL2066108 | 0.82 | CA2 (0.46) | CA2TMEM97SIGMAR1ALDH1A1NPSR1 | |
| SCHEMBL2066105 | 0.82 | CA2 (0.46) | CA2TMEM97SIGMAR1ALDH1A1NPSR1 | |
| SCHEMBL4926340 | 0.82 | CA2 (0.46) | CA2TMEM97SIGMAR1ALDH1A1NPSR1 | |
| Propionic Acid SCHEMBL15956259 | 0.81 | CA2 (0.42) | CA2TMEM97SIGMAR1ALDH1A1NPSR1 | |
| SCHEMBL17038983 | 0.79 | CA2 (0.47) | CA2TMEM97SIGMAR1ALDH1A1NPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108601958-B | Pro-fragrance compositions | 爱客多有限公司 | 2022-06-17 | — | — | CN | disclosed |
| CN-101981167-B | Marker dyes for petroleum products | LUBRIZOL CORP | 2014-08-13 | — | — | CN | disclosed |
| CN-101981167-A | Marker dyes for petroleum products | LUBRIZOL CORP | 2011-02-23 | — | — | CN | disclosed |
| EP-1707185-A1 | Solvent materials and methods for preparing fragrance compositions | INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) | 2006-10-04 | — | — | EP | disclosed |