Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK7 | P49862 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25997690 | 0.84 | POLB (0.45) | KLK7GAANPSR1GPR55CYP1A2 | |
| SCHEMBL18331472 | 0.84 | MEN1 (0.58) | GAANPSR1GPR55CYP1A2CYP2C9 | |
| SCHEMBL17896176 | 0.84 | KMT2A (0.51) | GAACYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL17896175 | 0.84 | KMT2A (0.51) | GAACYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL9285601 | 0.84 | MEN1 (0.58) | GAANPSR1GPR55CYP1A2CYP2C9 | |
| SCHEMBL18330989 | 0.82 | LDHA (0.50) | GAANPSR1KMT2AMEN1MAPT | |
| SCHEMBL18331155 | 0.82 | GLA (0.45) | KMT2AL3MBTL1MEN1MAPTPOLB | |
| SCHEMBL21057175 | 0.81 | PPARG (0.53) | CYP1A2CYP2C9CYP2C19PPARGPPARA | |
| SCHEMBL10540133 | 0.81 | PPARG (0.53) | CYP1A2CYP2C9CYP2C19PPARGPPARA | |
| SCHEMBL21991494 | 0.81 | GAA (0.44) | GAANPSR1GPR55CYP1A2CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113979907-A | Cyclohexane-1, 3-dione compound and application thereof | 郑州恒诚仪器耗材有限公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-111205208-B | Cyclohexane-1, 3-diketone compound and synthetic method and application thereof | 郑州恒诚仪器耗材有限公司 | 2021-12-17 | — | — | CN | disclosed |
| WO-2021143617-A1 | CYCLOHEXADIENE OXIME ETHER COMPOUND, SYNTHESIS METHOD THEREFOR AND APPLICATION THEREOF | 郑州手性药物研究院有限公司 | 2021-07-22 | — | — | WO | disclosed |
| CN-111205208-A | Cyclohexane-1, 3-diketone compound and synthetic method and application thereof | 郑州手性药物研究院有限公司 | 2020-05-29 | — | — | CN | disclosed |