Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 3/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.30 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.30 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3849016 | 0.88 | AKT1 (0.37) | KCNH2TGFBR1PIK3CAAKT1AKT2 | |
| SCHEMBL3846697 | 0.86 | PGR (0.33) | KCNH2PIK3CAFLT3PIK3CB | |
| SCHEMBL3849699 | 0.84 | TGFBR1 (0.32) | KCNH2TGFBR1 | |
| SCHEMBL3850042 | 0.84 | FLT3 (0.38) | KCNH2FLT3 | |
| SCHEMBL3852870 | 0.83 | TGFBR1 (0.32) | TGFBR1 | |
| SCHEMBL3846968 | 0.83 | KCNH2 (0.44) | KCNH2TGFBR1PIK3CAAKT1AKT2 | |
| SCHEMBL3846456 | 0.82 | FLT3 (0.42) | KCNH2TGFBR1AKT1AKT2FLT3 | |
| SCHEMBL3848272 | 0.80 | KCNH2 (0.40) | KCNH2TGFBR1PIK3CAAKT1AKT2 | |
| SCHEMBL3850996 | 0.78 | FLT3 (0.32) | FLT3 | |
| SCHEMBL3846295 | 0.78 | FLT3 (0.36) | FLT3 |
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 |