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 | |
|---|---|---|---|---|
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.55 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.66 |
| ▸ | CES1 | P23141 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.59 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.59 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.59 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL19234560 | 0.93 | UCHL1 (0.76) | UCHL1CES1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL6553107 | 0.93 | UCHL1 (0.76) | UCHL1CES1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL24324833 | 0.81 | CES1 (0.69) | UCHL1CES1ALDH1A1HTTMAPT | |
| SCHEMBL6302353 | 0.80 | UCHL1 (0.76) | UCHL1ALDH1A1KMT2AL3MBTL1HTT | |
| SCHEMBL12058761 | 0.80 | UCHL1 (0.75) | UCHL1ALDH1A1KMT2AL3MBTL1MAPT | |
| SCHEMBL13185624 | 0.80 | UCHL1 (0.75) | UCHL1ALDH1A1HDAC4HDAC1HDAC8 | |
| SCHEMBL31702460 | 0.80 | CES1 (0.58) | CES1ALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL5608211 | 0.80 | CES1 (0.58) | CES1ALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL27734527 | 0.80 | CES1 (0.58) | CES1ALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL19234895 | 0.80 | CES1 (0.58) | CES1ALDH1A1HDAC3HDAC4HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5545671-A | ADMINISTERING A CYCLODEXTRIN CLATHRATE OF EPTALOPROST OR CICAPROST | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-08-13 | — | — | US | disclosed |
| US-5523321-A | Prostacyclins, their analogs or prostaglandins and thromboxane antagonists for treatment of thrombotic and thromboembolic syndromes | SCHERING AKTIENGESELLESCHAFT (DE) | 1996-06-04 | — | — | US | disclosed |
| WO-1991004739-A1 | USE OF PROSTACYCLIN DERIVATIVES AGAINST METASTASES | SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) | 1991-04-18 | — | — | WO | disclosed |
| EP-0421562-A2 | Use of prostacyclin analogs against metastases | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-04-10 | — | — | EP | disclosed |