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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 11/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | CTRC | Q99895 | 3/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 1/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7603777 | 0.91 | F2 (0.58) | F2PRSS2CTRCF10 | |
| Acetic Acid SCHEMBL7450065 | 0.85 | F2 (0.66) | F2KDM4EALDH1A1GAAPRSS2 | |
| SCHEMBL7608163 | 0.80 | EPHX2 (0.51) | F2KDM4EALDH1A1GAAPRSS2 | |
| SCHEMBL7446605 | 0.78 | KDM4E (0.57) | F2KDM4EALDH1A1PRSS2HTR1A | |
| SCHEMBL7601994 | 0.78 | F2 (0.71) | F2PRSS2CTRCF10 | |
| Acetic Acid SCHEMBL7451815 | 0.77 | F2 (0.68) | F2PRSS2CTRCF10 | |
| SCHEMBL7603459 | 0.74 | F2 (0.62) | F2PRSS2CTRCF10 | |
| Acetic Acid SCHEMBL7604487 | 0.72 | F2 (0.51) | F2PRSS2CTRCF10 | |
| SCHEMBL7440159 | 0.71 | F2 (0.55) | F2PRSS2CTRCKCNA5F10 | |
| SCHEMBL7602926 | 0.70 | F2 (0.73) | F2PRSS2CTRCF10 |
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 |