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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
| ▸ | GPR35 | Q9HC97 | 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 | |
|---|---|---|---|---|
| SCHEMBL11299703 | 0.87 | ALDH1A1 (0.40) | ALDH1A1GPR35 | |
| SCHEMBL14533547 | 0.87 | ALDH1A1 (0.40) | ALDH1A1GPR35 | |
| SCHEMBL878835 | 0.87 | ALDH1A1 (0.40) | ALDH1A1GPR35 | |
| SCHEMBL2292115 | 0.85 | — | — | |
| SCHEMBL2292342 | 0.80 | — | — | |
| SCHEMBL840651 | 0.75 | CYP2C19 (0.48) | ALDH1A1DPP4CYP2C19P2RX7USP2 | |
| SCHEMBL3495245 | 0.75 | CYP2C19 (0.48) | ALDH1A1DPP4CYP2C19P2RX7USP2 | |
| SCHEMBL2288386 | 0.75 | — | — | |
| SCHEMBL3909670 | 0.73 | CYP2C19 (0.47) | ALDH1A1DPP4CYP2C19P2RX7USP2 | |
| SCHEMBL18711849 | 0.73 | CYP1A2 (0.41) | ALDH1A1CYP2C19USP2CYP1A2TSHR |
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-2013190357-A1 | A PROCESS FOR THE PREPARATION OF GABAPENTIN | HIKAL LIMITED (IN) | 2013-12-27 | — | — | WO | disclosed |
| EP-0414262-A2 | Process for the preparation of cyclic amino anticonvulsant compounds | WARNER-LAMBERT COMPANY (US) | 1991-02-27 | — | — | EP | disclosed |