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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 6/20 | 0.47 |
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.51 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.51 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.51 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | RHOC | P08134 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | PDE6D | O43924 | 3/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
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 | 1.00 | SLCO1B1 (0.51) | SLCO1B1ABCB11ABCC3ABCC4SLCO1B3 | |
| SCHEMBL30668285 | 0.97 | SLCO1B1 (0.49) | SLCO1B1ABCB11ABCC3ABCC4SLCO1B3 | |
| SCHEMBL30668287 | 0.97 | SLCO1B1 (0.49) | SLCO1B1ABCB11ABCC3ABCC4SLCO1B3 | |
| SCHEMBL30668286 | 0.97 | SLCO1B1 (0.49) | SLCO1B1ABCB11ABCC3ABCC4SLCO1B3 | |
| SCHEMBL4433488 | 0.91 | HMGCR (0.49) | SLCO1B1ABCB11ABCC3ABCC4SLCO1B3 | |
| Calcium SCHEMBL4738406 | 0.90 | HMGCR (0.48) | SLCO1B1ABCB11ABCC3ABCC4SLCO1B3 | |
| SCHEMBL29795041 | 0.87 | SLCO1B1 (0.51) | SLCO1B1ABCB11ABCC3ABCC4SLCO1B3 | |
| SCHEMBL18051134 | 0.82 | HMGCR (0.53) | SLCO1B1ABCB11ABCC3ABCC4SLCO1B3 | |
| SCHEMBL30846008 | 0.78 | ABCC3 (0.32) | SLCO1B1ABCB11ABCC3ABCC4SLCO1B3 | |
| SCHEMBL6100481 | 0.72 | SLCO1B1 (0.45) | SLCO1B1ABCB11ABCC3ABCC4SLCO1B3 |
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-110913843-B | Pharmaceutical composition | 伊莱利利公司 | 2022-09-13 | — | — | CN | disclosed |