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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 6/20 | 0.62 |
| ▸ | FABP3 | P05413 | 2/20 | 0.62 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL22772590 | 0.96 | FABP4 (0.62) | FABP4FABP3FABP5ALDH1A1GAA | |
| Potassium Ion SCHEMBL28654165 | 0.96 | FABP4 (0.62) | FABP4FABP3FABP5ALDH1A1GAA | |
| SCHEMBL2322598 | 0.96 | FABP4 (0.62) | FABP4FABP3FABP5ALDH1A1GAA | |
| Tetramethylammonium Ion SCHEMBL592342 | 0.92 | FABP4 (0.58) | FABP4FABP3FABP5ALDH1A1GAA | |
| SCHEMBL7755749 | 0.82 | FABP4 (0.47) | FABP4FABP3FABP5ALDH1A1GAA | |
| SCHEMBL383991 | 0.82 | FABP4 (0.47) | FABP4FABP3FABP5ALDH1A1GAA | |
| SCHEMBL5549111 | 0.81 | FABP4 (0.46) | FABP4FABP3FABP5ALDH1A1GAA | |
| Tetrabuthylammonium SCHEMBL592616 | 0.81 | FABP4 (0.46) | FABP4FABP3FABP5ALDH1A1GAA | |
| SCHEMBL8989764 | 0.80 | FABP4 (0.69) | FABP4FABP3FABP5ALDH1A1GAA | |
| SCHEMBL8243105 | 0.78 | FABP4 (0.67) | FABP4FABP3FABP5ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-117597099-A | Curable composition for dental use | 可乐丽则武齿科株式会社 | 2024-02-23 | — | — | CN | disclosed |
| CN-113677293-B | Curable composition for dental restoration | 可乐丽则武齿科株式会社 | 2023-10-10 | — | — | CN | disclosed |
| CN-113677293-A | Curable composition for dental repair | 可乐丽则武齿科株式会社 | 2021-11-19 | — | — | CN | disclosed |