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 | 0.69 |
| ▸ | F10 | P00742 | 2/20 | 0.53 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.53 |
| ▸ | CTRC | Q99895 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7601956 | 0.93 | F2 (0.68) | F2F10PRSS2CTRC | |
| Acetic Acid SCHEMBL7602922 | 0.93 | F2 (0.69) | F2F10PRSS2CTRC | |
| Acetic Acid SCHEMBL7603855 | 0.89 | F2 (0.70) | F2F10PRSS2CTRC | |
| SCHEMBL7603035 | 0.87 | F2 (0.59) | F2F10PRSS2CTRC | |
| Hydrochloric Acid SCHEMBL7603179 | 0.87 | F2 (0.61) | F2F10PRSS2CTRC | |
| Hydrochloric Acid SCHEMBL7598831 | 0.86 | F2 (0.70) | F2F10PRSS2CTRC | |
| Acetic Acid SCHEMBL7451499 | 0.85 | F2 (0.93) | F2F10PRSS2 | |
| Hydrochloric Acid SCHEMBL7605650 | 0.85 | F2 (0.59) | F2F10PRSS2CTRC | |
| Acetic Acid SCHEMBL7598966 | 0.84 | F2 (0.72) | F2F10PRSS2CTRC | |
| Hydrochloric Acid SCHEMBL7600013 | 0.82 | F2 (0.72) | F2F10PRSS2CTRC |
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 |