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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | FAP | Q12884 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | MDH1 | P40925 | 1/20 | 0.36 |
| ▸ | MDH2 | P40926 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12943286 | 0.92 | PKM (0.42) | DPP4ALDH1A1PKMFAPDPP8 | |
| SCHEMBL29602546 | 0.76 | TSHR (0.47) | DPP4ALDH1A1PKMTSHREPHX2 | |
| SCHEMBL5608005 | 0.76 | TSHR (0.47) | DPP4ALDH1A1PKMTSHREPHX2 | |
| SCHEMBL2851919 | 0.74 | ALDH1A1 (0.47) | DPP4ALDH1A1PKMFAPDPP8 | |
| SCHEMBL4385378 | 0.74 | TSHR (0.53) | TSHREPHX2 | |
| SCHEMBL12735378 | 0.72 | DPP4 (0.56) | DPP4ALDH1A1FAPDPP8DPP9 | |
| SCHEMBL160300 | 0.71 | DPP4 (0.58) | DPP4ALDH1A1FAPDPP8DPP9 | |
| SCHEMBL24106000 | 0.71 | GRIN2D (0.50) | DPP4ALDH1A1PKMEPHX2 | |
| SCHEMBL13444794 | 0.71 | GRIN2D (0.56) | DPP4ALDH1A1PKMFAPDPP8 | |
| SCHEMBL5614585 | 0.71 | GRIN2D (0.56) | DPP4ALDH1A1PKMFAPDPP8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590943-B1 | PROCESS AND INTERMEDIATES FOR PREPARATION OF AN ACTIVE INGREDIENT | CHEMELECTIVA SRL (IT) | 2014-10-01 | — | — | EP | disclosed |
| EP-2590943-A1 | PROCESS AND INTERMEDIATES FOR PREPARATION OF AN ACTIVE INGREDIENT | Chemelectiva Srl. (IT) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004210-A1 | PROCESS AND INTERMEDIATES FOR PREPARATION OF AN ACTIVE INGREDIENT | CHEMELECTIVA SRL (IT) | 2012-01-12 | — | — | WO | disclosed |