Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KCNK13 | Q9HB14 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28796695 | 0.81 | NISCH (0.40) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL11011484 | 0.72 | NISCH (0.38) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL5047485 | 0.70 | NISCH (0.36) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL6017638 | 0.70 | NISCH (0.38) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL9369328 | 0.70 | HSD17B10 (0.55) | NISCHCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3534451 | 0.69 | BRD4 (0.46) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL9373068 | 0.68 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL13296403 | 0.67 | SMN1; SMN2 (0.46) | CYP2D6CYP2C19CHRM2CHRM5CHRM1 | |
| SCHEMBL9369730 | 0.67 | CYP2D6 (0.36) | NISCHCYP3A4CYP2D6CYP2C9MTOR | |
| SCHEMBL9369845 | 0.66 | HSP90AA1 (0.37) | NISCHMTORADKKCNK13BRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020059997-A1 | OXIDATION-REDUCTION POLYMER INCLUDING TRANSITION METAL COMPLEX, AND ELECTROCHEMICAL BIOSENSOR USING SAME | 주식회사 아이센스 | 2020-03-26 | — | — | WO | disclosed |