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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 20/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.51 |
| ▸ | F10 | P00742 | 2/20 | 0.51 |
| ▸ | CTRC | Q99895 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7495452 | 0.88 | F2 (0.51) | F2PRSS2F10CTRC | |
| Acetic Acid SCHEMBL7451219 | 0.87 | F2 (0.68) | F2PRSS2F10CTRC | |
| Acetic Acid SCHEMBL6552978 | 0.87 | F2 (0.69) | F2PRSS2F10CTRC | |
| SCHEMBL6554465 | 0.82 | F2 (0.55) | F2PRSS2F10CTRC | |
| Hydrochloric Acid SCHEMBL7604584 | 0.81 | F2 (0.53) | F2PRSS2F10CTRC | |
| Acetic Acid SCHEMBL7598966 | 0.80 | F2 (0.72) | F2PRSS2F10CTRC | |
| SCHEMBL7603811 | 0.80 | F2 (0.73) | F2PRSS2F10CTRC | |
| SCHEMBL7602926 | 0.80 | F2 (0.73) | F2PRSS2F10CTRC | |
| SCHEMBL7603448 | 0.80 | F2 (0.76) | F2PRSS2F10CTRC | |
| SCHEMBL7603866 | 0.79 | F2 (0.76) | F2PRSS2F10CTRC |
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-0859607-B1 | GUANIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 2002-12-18 | — | — | EP | claimed |
| EP-0859607-B1 | GUANIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 2002-12-18 | — | — | EP | disclosed |