Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | ADK | P55263 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 2/20 | 0.37 |
| ▸ | PRKACG | P22612 | 2/20 | 0.37 |
| ▸ | PRKACB | P22694 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8137182 | 0.80 | NISCH (0.53) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL8538740 | 0.79 | NISCH (0.46) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL8537240 | 0.78 | CYP11B2 (0.48) | NISCH | |
| SCHEMBL3978330 | 0.78 | NISCH (0.45) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL8539165 | 0.76 | MAPT (0.40) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL8536727 | 0.76 | ALDH1A1 (0.52) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL1838153 | 0.76 | NISCH (0.58) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL7060159 | 0.76 | NISCH (0.49) | NISCHMTORADKKDM4EALDH1A1 | |
| SCHEMBL5072719 | 0.75 | TDP1 (0.48) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL27817951 | 0.74 | NISCH (0.56) | NISCHMTORADKKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0691967-A1 | NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS | Eisai Co., Ltd. (JP) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994022855-A1 | NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS | EISAI CO., LTD. (JP) | 1994-10-13 | — | — | WO | disclosed |