Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 14/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 9/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 9/20 | 0.39 |
| ▸ | LMNA | P02545 | 7/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.37 |
| ▸ | TSHR | P16473 | 7/20 | 0.37 |
| ▸ | HPGD | P15428 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | RAF1 | P04049 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3854332 | 0.90 | KIT (0.35) | CYP1A2CYP3A4ALDH1A1MAPK1CLK4 | |
| SCHEMBL4715276 | 0.89 | KIT (0.38) | CYP1A2CYP3A4ALDH1A1MAPK1LMNA | |
| SCHEMBL3847713 | 0.89 | CYP2D6 (0.37) | CYP1A2CYP3A4ALDH1A1CLK4LMNA | |
| SCHEMBL3852540 | 0.88 | STK17B (0.33) | LMNAPIK3CDPIK3CAPIK3CBMTOR | |
| Hydrochloric Acid SCHEMBL3846886 | 0.88 | MAP4K4 (0.34) | PIK3CDPIK3CAPIK3CBMTORPIK3CG | |
| Hydrochloric Acid SCHEMBL3854735 | 0.88 | KIT (0.38) | CYP1A2CYP3A4ALDH1A1MAPK1LMNA | |
| SCHEMBL3848218 | 0.87 | KIT (0.36) | CYP1A2CYP3A4ALDH1A1MAPK1CLK4 | |
| Hydrochloric Acid SCHEMBL3851460 | 0.87 | MAP4K4 (0.38) | CYP1A2CYP3A4ALDH1A1MAPK1CLK4 | |
| SCHEMBL3847588 | 0.86 | KIT (0.35) | CYP1A2CYP3A4ALDH1A1MAPK1CLK4 | |
| SCHEMBL3848216 | 0.86 | CA12 (0.34) | CYP1A2CYP3A4ALDH1A1MAPK1CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |
| EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |