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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.61 |
| ▸ | CTSS | P25774 | 7/20 | 0.53 |
| ▸ | CTSK | P43235 | 6/20 | 0.53 |
| ▸ | CTSB | P07858 | 4/20 | 0.53 |
| ▸ | CTSL | P07711 | 2/20 | 0.52 |
| ▸ | ACE | P12821 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | REN | P00797 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6680700 | 0.96 | KLK5 (0.61) | KLK5CTSSCTSKCTSBCTSL | |
| SCHEMBL8423461 | 0.96 | KLK5 (0.61) | KLK5CTSSCTSKCTSBCTSL | |
| SCHEMBL29392779 | 0.96 | KLK5 (0.61) | KLK5CTSSCTSKCTSBCTSL | |
| SCHEMBL31689508 | 0.91 | CTSS (0.54) | KLK5CTSSCTSKCTSBCTSL | |
| SCHEMBL23273192 | 0.88 | ACE (0.64) | KLK5CTSSCTSKCTSBCTSL | |
| SCHEMBL23273193 | 0.88 | ACE (0.64) | KLK5CTSSCTSKCTSBCTSL | |
| SCHEMBL31407446 | 0.88 | ACE (0.64) | KLK5CTSSCTSKCTSBCTSL | |
| SCHEMBL24600489 | 0.88 | CTSS (0.54) | KLK5CTSSCTSKCTSBCTSL | |
| SCHEMBL29551326 | 0.88 | CTSS (0.54) | KLK5CTSSCTSKCTSBCTSL | |
| Acetic Acid SCHEMBL2728774 | 0.86 | KLK5 (0.59) | KLK5CTSSCTSKCTSBCTSL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012058325-A1 | COMPOUNDS AND METHODS USEFUL FOR TREATMENT OF DISEASES MEDIATED BY HIF-1 | ONCOTHYREON INC. (US) | 2012-05-03 | — | — | WO | disclosed |