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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | MMP2 | P08253 | 4/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
| ▸ | MMP3 | P08254 | 1/20 | 0.55 |
| ▸ | MMP7 | P09237 | 1/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.55 |
| ▸ | MMP13 | P45452 | 1/20 | 0.55 |
| ▸ | BMP1 | P13497 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1287373 | 0.94 | ALDH1A1 (0.68) | POLBALDH1A1MMP2MMP1MMP3 | |
| SCHEMBL1287280 | 0.94 | ALDH1A1 (0.68) | POLBALDH1A1MMP2MMP1MMP3 | |
| SCHEMBL31124612 | 0.85 | MMP2 (0.58) | POLBALDH1A1MMP2MMP1MMP3 | |
| SCHEMBL7026718 | 0.82 | BMP1 (0.57) | POLBALDH1A1MMP2MMP1MMP3 | |
| SCHEMBL28426090 | 0.82 | ALDH1A1 (0.73) | POLBALDH1A1MMP2CYP1A2CYP2C9 | |
| SCHEMBL3759433 | 0.82 | ALDH1A1 (0.73) | POLBALDH1A1MMP2CYP1A2CYP2C9 | |
| SCHEMBL120374 | 0.82 | POLB (0.68) | POLBALDH1A1GFERRAB9ANAMPT | |
| SCHEMBL3751598 | 0.81 | ALDH1A1 (0.68) | POLBALDH1A1GFERRAB9ANAMPT | |
| SCHEMBL3757552 | 0.81 | ALDH1A1 (0.68) | POLBALDH1A1GFERRAB9ANAMPT | |
| Hydrochloric Acid SCHEMBL8123779 | 0.81 | ALDH1A1 (0.71) | POLBALDH1A1MMP2CYP1A2CYP2C9 |
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 |