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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 7/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
| ▸ | C1S | P09871 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 5/20 | 0.43 |
| ▸ | PLAU | P00749 | 2/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 5/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.42 |
| ▸ | PLAT | P00750 | 1/20 | 0.41 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MASP2 | O00187 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7664428 | 0.96 | F2 (0.47) | F2PRSS1PRSS2PRSS3PLG | |
| SCHEMBL7653271 | 0.84 | KMT2A (0.41) | F2PRSS1PRSS2PRSS3PLG | |
| SCHEMBL7679501 | 0.79 | F7 (0.70) | F2PRSS1PRSS2PRSS3PLG | |
| SCHEMBL7657601 | 0.76 | F7 (0.66) | F2PRSS1PRSS2PRSS3PLG | |
| SCHEMBL7660909 | 0.76 | HIF1A (0.51) | F2PRSS1PRSS2PRSS3PLG | |
| SCHEMBL7651335 | 0.74 | PRSS1 (0.47) | F2PRSS1PRSS2PRSS3PLG | |
| SCHEMBL7662455 | 0.73 | RXRA (0.58) | F2PRSS1PRSS2PRSS3ST14 | |
| SCHEMBL27670241 | 0.73 | WDR5 (0.58) | F2PRSS1PRSS2PRSS3PLG | |
| SCHEMBL7764255 | 0.72 | TSHR (0.72) | TSHRFOLH1 | |
| SCHEMBL2427439 | 0.72 | FOLH1 (0.55) | FOLH1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6358960-B1 | FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-03-19 | — | — | US | disclosed |
| EP-1078917-A1 | AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2001-02-28 | — | — | EP | disclosed |