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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC3 | O15438 | 2/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.32 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.32 |
| ▸ | SLCO1B1 | Q9Y6L6 | 2/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7080939 | 0.78 | SLCO1B1 (0.51) | ABCC3ABCC4ABCB11SLCO1B3SLCO1B1 | |
| SCHEMBL29804644 | 0.78 | SLCO1B1 (0.51) | ABCC3ABCC4ABCB11SLCO1B3SLCO1B1 | |
| SCHEMBL30668285 | 0.76 | SLCO1B1 (0.49) | ABCC3ABCC4ABCB11SLCO1B3SLCO1B1 | |
| SCHEMBL30668286 | 0.76 | SLCO1B1 (0.49) | ABCC3ABCC4ABCB11SLCO1B3SLCO1B1 | |
| SCHEMBL30668287 | 0.76 | SLCO1B1 (0.49) | ABCC3ABCC4ABCB11SLCO1B3SLCO1B1 | |
| SCHEMBL4433488 | 0.69 | HMGCR (0.49) | ABCC3ABCC4ABCB11SLCO1B3SLCO1B1 | |
| Calcium SCHEMBL4738406 | 0.68 | HMGCR (0.48) | ABCC3ABCC4ABCB11SLCO1B3SLCO1B1 | |
| SCHEMBL29795041 | 0.65 | SLCO1B1 (0.51) | ABCC3ABCC4ABCB11SLCO1B3SLCO1B1 | |
| SCHEMBL11686163 | 0.55 | HDAC1 (0.59) | KDM4EMAPT | |
| SCHEMBL2010849 | 0.54 | CASP3 (0.48) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-118026906-A | Preparation method of atorvastatin calcium | 宣城美诺华药业有限公司 | 2024-05-14 | — | — | CN | disclosed |