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 | 4/20 | 0.34 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.31 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.36 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29407271 | 0.91 | HSPA5 (0.43) | HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL29387295 | 0.90 | HSPA5 (0.44) | HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL538260 | 0.90 | HSPA5 (0.44) | HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL538477 | 0.89 | HSPA5 (0.43) | HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2 | |
| Lithium Ion SCHEMBL30175563 | 0.89 | HSPA5 (0.43) | HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL30175559 | 0.89 | HSPA5 (0.43) | HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL537655 | 0.88 | HSPA5 (0.45) | HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL2329462 | 0.87 | HSPA5 (0.44) | HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL2678093 | 0.87 | HSPA5 (0.44) | HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2 | |
| Phosphoric Acid SCHEMBL7732345 | 0.85 | HSPA5 (0.53) | HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2 |
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-114156528-B | Microporous membrane, preparation method thereof and battery | 深圳中兴新材技术股份有限公司 | 2023-06-23 | — | — | CN | disclosed |