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 | |
|---|---|---|---|---|
| ▸ | F7 | P08709 | 13/20 | 0.74 |
| ▸ | F2 | P00734 | 12/20 | 0.74 |
| ▸ | PRSS1 | P07477 | 11/20 | 0.74 |
| ▸ | F10 | P00742 | 10/20 | 0.74 |
| ▸ | F3 | P13726 | 3/20 | 0.74 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.74 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.74 |
| ▸ | CTSV | O60911 | 3/20 | 0.56 |
| ▸ | CTSL | P07711 | 3/20 | 0.56 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7146316 | 0.98 | F7 (0.76) | F7F2PRSS1F10F3 | |
| Acetic Acid SCHEMBL8126621 | 0.92 | F7 (0.81) | F7F2PRSS1F10F3 | |
| Acetic Acid SCHEMBL8126615 | 0.92 | F7 (0.81) | F7F2PRSS1F10F3 | |
| SCHEMBL8126123 | 0.91 | F7 (0.71) | F7F2PRSS1F10F3 | |
| Acetic Acid SCHEMBL8114675 | 0.91 | F7 (0.77) | F7F2PRSS1F10F3 | |
| Acetic Acid SCHEMBL8121806 | 0.91 | F7 (0.80) | F7F2PRSS1F10F3 | |
| Acetic Acid SCHEMBL8121809 | 0.91 | F7 (0.80) | F7F2PRSS1F10F3 | |
| SCHEMBL7145038 | 0.90 | F7 (0.84) | F7F2PRSS1F10F3 | |
| SCHEMBL7145013 | 0.90 | F7 (0.84) | F7F2PRSS1F10F3 | |
| SCHEMBL7144991 | 0.90 | F7 (0.84) | F7F2PRSS1F10F3 |
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 |