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 | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 16/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.37 |
| ▸ | F10 | P00742 | 3/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.37 |
| ▸ | MASP2 | O00187 | 1/20 | 0.36 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.35 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.35 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6029267 | 0.98 | ST14 (0.38) | F2PRSS1PRSS2PRSS3F10 | |
| Acetic Acid SCHEMBL6028032 | 0.83 | F2 (0.39) | F2PRSS1PRSS2PRSS3F10 | |
| SCHEMBL6031646 | 0.80 | ST14 (0.39) | F2PRSS1PRSS2PRSS3F10 | |
| SCHEMBL6028195 | 0.79 | ST14 (0.38) | F2PRSS1PRSS2PRSS3F10 | |
| SCHEMBL6028856 | 0.76 | TLR4 (0.32) | — | |
| SCHEMBL6028254 | 0.76 | F10 (0.33) | F2F10F7 | |
| Acetic Acid SCHEMBL6028736 | 0.74 | F2 (0.39) | F2PRSS1F10ST14MASP2 | |
| SCHEMBL6028367 | 0.72 | ST14 (0.39) | F2PRSS1F10ST14MASP2 | |
| Acetic Acid SCHEMBL6030799 | 0.72 | F2 (0.46) | F2PRSS1F10ST14MASP2 | |
| Acetic Acid SCHEMBL6078686 | 0.72 | F2 (0.41) | F2PRSS1F10ST14MASP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1706396-A1 | N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA | F.HOFFMANN-LA ROCHE AG (CH) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005058868-A1 | N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | disclosed |