Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 2/20 | 0.40 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.46 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PDE6D | O43924 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL1078270 | 0.99 | ABCC3 (0.45) | ABCC3ABCC4HMGCRHDAC1HDAC2 | |
| SCHEMBL1078205 | 0.92 | HMGCR (0.44) | ABCC3ABCC4HMGCRHDAC1HDAC2 | |
| SCHEMBL934293 | 0.92 | HMGCR (0.44) | ABCC3ABCC4HMGCRHDAC1HDAC2 | |
| SCHEMBL1739610 | 0.82 | ABCC3 (0.43) | ABCC3ABCC4HMGCRHDAC1HDAC2 | |
| SCHEMBL2684321 | 0.81 | ABCC3 (0.42) | ABCC3ABCC4HMGCRHDAC1HDAC2 | |
| Zinc Ion SCHEMBL1741829 | 0.81 | ABCC3 (0.42) | ABCC3ABCC4HMGCRHDAC1HDAC2 | |
| SCHEMBL1740055 | 0.79 | HMGCR (0.41) | ABCC3ABCC4HMGCRHDAC1HDAC2 | |
| Tert-Butylamine SCHEMBL1739620 | 0.78 | HMGCR (0.40) | ABCC3ABCC4HMGCRHDAC1HDAC2 | |
| SCHEMBL3971715 | 0.76 | ABCC3 (0.38) | ABCC3ABCC4HMGCRHDAC1HDAC2 | |
| SCHEMBL15004853 | 0.74 | HMGCR (0.70) | ABCC3ABCC4HMGCRHDAC1HDAC2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2389365-A1 | PROCESS FOR THE PREPARATION OF ROSUVASTATIN SALTS | Egis Gyógyszergyár Nyilvánosan Müködö (HU) | 2011-11-30 | — | — | EP | disclosed |
| US-8040819-B2 | Discovery and identification of upstream device characteristics for self-configuration of customer premises equipment | CISCO TECHNOLOGY, INC. (US) | 2011-10-18 | — | — | US | disclosed |
| WO-2010082072-A1 | PROCESS FOR THE PREPARATION OF ROSUVASTATIN SALTS | EGIS GYÓGYSZERGYÁR (HU) | 2010-07-22 | — | — | WO | disclosed |