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 | 0.68 |
| ▸ | PRSS2 | P07478 | 5/20 | 0.68 |
| ▸ | F10 | P00742 | 4/20 | 0.68 |
| ▸ | CTRC | Q99895 | 5/20 | 0.62 |
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 SCHEMBL7450065 | 0.91 | F2 (0.66) | F2PRSS2F10CTRC | |
| Acetic Acid SCHEMBL7603777 | 0.86 | F2 (0.58) | F2PRSS2F10CTRC | |
| SCHEMBL7440159 | 0.84 | F2 (0.55) | F2PRSS2F10CTRC | |
| SCHEMBL7446067 | 0.81 | F2 (1.00) | F2PRSS2F10CTRC | |
| Acetic Acid SCHEMBL6553034 | 0.81 | F2 (0.92) | F2PRSS2F10CTRC | |
| SCHEMBL7446659 | 0.80 | F2 (0.59) | F2PRSS2F10CTRC | |
| Acetic Acid SCHEMBL7603833 | 0.80 | F2 (0.71) | F2PRSS2F10CTRC | |
| Acetic Acid SCHEMBL7442790 | 0.79 | F2 (0.70) | F2PRSS2F10CTRC | |
| SCHEMBL6553310 | 0.78 | F2 (1.00) | F2PRSS2F10CTRC | |
| Hydrochloric Acid SCHEMBL6553124 | 0.77 | F2 (0.98) | 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 8 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-A4 | GUANIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 1999-05-06 | — | — | EP | claimed |
| EP-0859607-A1 | GUANIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-08-26 | — | — | EP | claimed |
| WO-1997011693-A1 | GUANIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1997-04-03 | — | — | WO | claimed |
| EP-0859607-B1 | GUANIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 2002-12-18 | — | — | EP | disclosed |
| EP-0859607-A4 | GUANIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 1999-05-06 | — | — | EP | disclosed |
| EP-0859607-A1 | GUANIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-08-26 | — | — | EP | disclosed |
| WO-1997011693-A1 | GUANIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1997-04-03 | — | — | WO | disclosed |