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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25336093 | 0.67 | HSD11B1 (0.38) | HSD11B1 | |
| SCHEMBL30987580 | 0.66 | HSD11B1 (0.37) | HSD11B1 | |
| SCHEMBL30987567 | 0.66 | HSD11B1 (0.37) | HSD11B1 | |
| SCHEMBL22849723 | 0.61 | HSD11B1 (0.34) | HSD11B1 | |
| SCHEMBL30967674 | 0.61 | HSD11B1 (0.31) | HSD11B1 | |
| SCHEMBL31178318 | 0.59 | HSD11B1 (0.31) | HSD11B1 | |
| SCHEMBL22518620 | 0.58 | HSD11B1 (0.30) | HSD11B1 | |
| SCHEMBL31281031 | 0.58 | HSD11B1 (0.30) | HSD11B1 | |
| Acetic Acid SCHEMBL27816213 | 0.57 | — | — | |
| SCHEMBL31280928 | 0.55 | HSD11B1 (0.31) | HSD11B1 |
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-2019078246-A1 | IDO/TDO INHIBITOR | 一般社団法人ファルマバレープロジェクト支援機構 | 2019-04-25 | — | — | WO | disclosed |