Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | IDE | P14735 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.35 |
| ▸ | CDK9 | P50750 | 2/20 | 0.35 |
| ▸ | CLK1 | P49759 | 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 | |
|---|---|---|---|---|
| SCHEMBL3852118 | 0.91 | DPP4 (0.41) | DPP4IDENCF1PIK3CAKCNH2 | |
| SCHEMBL3845031 | 0.89 | IDE (0.43) | DPP4IDENCF1 | |
| SCHEMBL3848919 | 0.89 | CDK8 (0.43) | DPP4IDENCF1CCNT1CDK9 | |
| SCHEMBL3853295 | 0.87 | IDE (0.42) | IDENCF1CLK1 | |
| SCHEMBL3851448 | 0.83 | NCF1 (0.45) | NCF1CCNT1CDK9 | |
| SCHEMBL3852919 | 0.82 | MEN1 (0.46) | IDENCF1CLK1 | |
| Hydrochloric Acid SCHEMBL5852112 | 0.82 | NCF1 (0.44) | NCF1CCNT1CDK9 | |
| Hydrochloric Acid SCHEMBL3853045 | 0.81 | MTNR1B (0.46) | IDECLK1 | |
| SCHEMBL6637162 | 0.81 | NCF1 (0.45) | NCF1PIK3CAMTOR | |
| SCHEMBL3852729 | 0.80 | ALDH1A1 (0.43) | IDENCF1PIK3CAPIK3CDPIK3CB |
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 |