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 | |
|---|---|---|---|---|
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | ATP1A1 | P05023 | 3/20 | 0.36 |
| ▸ | ATP1B1 | P05026 | 3/20 | 0.36 |
| ▸ | ATP1A3 | P13637 | 3/20 | 0.36 |
| ▸ | ATP1B2 | P14415 | 3/20 | 0.36 |
| ▸ | ATP1A2 | P50993 | 3/20 | 0.36 |
| ▸ | ATP1B3 | P54709 | 3/20 | 0.36 |
| ▸ | FXYD2 | P54710 | 3/20 | 0.36 |
| ▸ | ATP1A4 | Q13733 | 3/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 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 | |
|---|---|---|---|---|
| SCHEMBL1783831 | 0.81 | PTGS1 (0.36) | PTGS1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL3147718 | 0.80 | — | — | |
| SCHEMBL3785655 | 0.79 | PTGS1 (0.35) | PTGS1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL14192659 | 0.79 | PTGS1 (0.35) | PTGS1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL3147712 | 0.75 | — | — | |
| SCHEMBL24703814 | 0.74 | ATP1A1 (0.33) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL4198276 | 0.73 | — | — | |
| SCHEMBL4198280 | 0.73 | — | — | |
| Bicarbonate SCHEMBL11398445 | 0.72 | APLNR (0.40) | FFAR3GMNNLMNABLMPMP22 | |
| SCHEMBL19189522 | 0.71 | — | — |
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-1144365-B1 | INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION | TANABE SEIYAKU CO (JP) | 2004-03-17 | — | — | EP | disclosed |