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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 19/20 | 0.63 |
| ▸ | PRSS1 | P07477 | 15/20 | 0.63 |
| ▸ | F7 | P08709 | 11/20 | 0.63 |
| ▸ | F10 | P00742 | 10/20 | 0.55 |
| ▸ | F3 | P13726 | 3/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 6/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 6/20 | 0.45 |
| ▸ | TMPRSS6 | Q8IU80 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7143067 | 0.98 | F2 (0.65) | F2PRSS1F7F10F3 | |
| Acetic Acid SCHEMBL8127149 | 0.90 | F2 (0.76) | F2PRSS1F7F10F3 | |
| SCHEMBL8124400 | 0.90 | F2 (0.65) | F2PRSS1F7F10F3 | |
| SCHEMBL7142896 | 0.89 | F2 (0.78) | F2PRSS1F7F10F3 | |
| Acetic Acid SCHEMBL8120279 | 0.88 | F2 (0.59) | F2PRSS1F7F10F3 | |
| Trifluoroacetic Acid SCHEMBL7146532 | 0.86 | F2 (0.58) | F2PRSS1F7F10F3 | |
| SCHEMBL7142566 | 0.86 | F2 (0.60) | F2PRSS1F7F10F3 | |
| SCHEMBL7142561 | 0.86 | F2 (0.60) | F2PRSS1F7F10F3 | |
| Acetic Acid SCHEMBL8121311 | 0.82 | F7 (0.64) | F2PRSS1F7F10F3 | |
| Acetic Acid SCHEMBL8128534 | 0.81 | F2 (0.62) | F2PRSS1F7F10F3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6140353-A | USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 2000-10-31 | — | — | US | disclosed |