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 | |
|---|---|---|---|---|
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | MC5R | P33032 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.40 |
| ▸ | KDM6B | O15054 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL10434078 | 0.97 | ITGB1 (0.44) | ITGB1ITGA5CHRM2ANPEPERAP2 | |
| SCHEMBL6573307 | 0.88 | MC4R (0.50) | CHRM2ANPEPERAP2MC4RMC5R | |
| Acetic Acid SCHEMBL14343057 | 0.87 | KMT2A (0.59) | CHRM2HDAC1MC4RMC5RMEN1 | |
| Acetic Acid SCHEMBL29170764 | 0.87 | KMT2A (0.59) | CHRM2HDAC1MC4RMC5RMEN1 | |
| SCHEMBL11049168 | 0.84 | MC4R (0.53) | CHRM2ANPEPERAP2MC4RMC5R | |
| Acetic Acid SCHEMBL9008894 | 0.83 | S1PR1 (0.58) | S1PR1S1PR3S1PR2S1PR4 | |
| Acetic Acid SCHEMBL27733277 | 0.83 | MEN1 (0.57) | CHRM2HDAC1MC4RMC5RMEN1 | |
| Acetic Acid SCHEMBL8540399 | 0.83 | MEN1 (0.57) | CHRM2HDAC1MC4RMC5RMEN1 | |
| Acetic Acid SCHEMBL29290494 | 0.83 | MEN1 (0.57) | CHRM2HDAC1MC4RMC5RMEN1 | |
| Acetic Acid SCHEMBL28252800 | 0.83 | MEN1 (0.57) | CHRM2HDAC1MC4RMC5RMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1990007342-A1 | PROCESS FOR PREPARING ISOTHIOCYANATO FUNCTIONALIZED METAL COMPLEXES | THE DOW CHEMICAL COMPANY (US) | 1990-07-12 | — | — | WO | disclosed |
| EP-0374947-A1 | Process for preparing isothiocyanato functionalized metal complexes | THE DOW CHEMICAL COMPANY (US) | 1990-06-27 | — | — | EP | disclosed |