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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | DGKA | P23743 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL2803680 | 0.85 | MAPT (0.38) | KDM4EDUSP3MEN1KMT2ALMNA | |
| SCHEMBL428467 | 0.84 | MAPT (0.40) | KDM4EDUSP3MEN1KMT2ALMNA | |
| SCHEMBL4603636 | 0.84 | MAPT (0.40) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Butyric Acid SCHEMBL15324264 | 0.79 | KDM4E (0.31) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Acetic Acid SCHEMBL4651159 | 0.79 | MAPT (0.33) | KDM4EDUSP3MEN1KMT2ALMNA | |
| SCHEMBL3327489 | 0.78 | MPI (0.32) | — | |
| Demannose SCHEMBL15324263 | 0.77 | KDM4E (0.41) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Acetic Acid SCHEMBL5304199 | 0.76 | KDM4E (0.33) | KDM4EDUSP3MEN1KMT2ALMNA | |
| Butyric Acid SCHEMBL4605193 | 0.76 | FFAR3 (0.37) | KDM4EDUSP3MEN1KMT2ALMNA | |
| SCHEMBL21645267 | 0.75 | MAPT (0.55) | KDM4EDUSP3MEN1KMT2ALMNA |
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-2836832-A1 | EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA | Wayne State University (US) | 2015-02-18 | — | — | EP | disclosed |
| WO-2013155458-A1 | EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA | WAYNE STATE UNIVERSITY (US) | 2013-10-17 | — | — | WO | disclosed |