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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.30 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.30 |
| ▸ | DPP7 | Q9UHL4 | 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 SCHEMBL9843899 | 0.96 | CA1 (0.39) | CA1HPGDMAPK10CTSBCTSS | |
| Acetic Acid SCHEMBL2861217 | 0.86 | HPGD (0.36) | HPGDMAPK10CTSBCTSSCTSK | |
| Bicarbonate SCHEMBL10618281 | 0.81 | CES2 (0.38) | CES2CES1HSD11B1DPP4DPP8 | |
| SCHEMBL10437830 | 0.79 | CES2 (0.36) | CES2CES1HSD11B1DPP4DPP8 | |
| Acetic Acid Methyl Ester SCHEMBL28239396 | 0.78 | ALDH1A1 (0.43) | HPGDMAPK10CTSBCTSSCTSK | |
| Ethane SCHEMBL2154402 | 0.78 | KCNH2 (0.30) | — | |
| SCHEMBL28037497 | 0.78 | CES2 (0.30) | CES2CES1 | |
| Hydrogen Peroxide SCHEMBL28133733 | 0.78 | CES2 (0.30) | CES2CES1 | |
| Ethane SCHEMBL27895280 | 0.78 | KCNH2 (0.30) | — | |
| SCHEMBL14027929 | 0.78 | EPHX1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0414262-A2 | Process for the preparation of cyclic amino anticonvulsant compounds | WARNER-LAMBERT COMPANY (US) | 1991-02-27 | — | — | EP | disclosed |