Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | RET | P07949 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3850087 | 0.83 | TGFBR1 (0.49) | CYP1A2METAP2TGFBR1DYRK1ARET | |
| SCHEMBL3845543 | 0.82 | TGFBR1 (0.47) | CYP1A2METAP2TGFBR1DYRK1APIK3CA | |
| SCHEMBL3851177 | 0.82 | TGFBR1 (0.47) | CYP1A2METAP2TGFBR1DYRK1ARET | |
| SCHEMBL3849190 | 0.80 | TGFBR1 (0.44) | CYP1A2METAP2TGFBR1DYRK1ARET | |
| SCHEMBL3846789 | 0.80 | TGFBR1 (0.47) | CYP1A2METAP2TGFBR1DYRK1ARET | |
| SCHEMBL3846146 | 0.80 | CYP1A2 (0.39) | CYP1A2METAP2TGFBR1DYRK1ARET | |
| SCHEMBL3846517 | 0.77 | TGFBR1 (0.35) | TGFBR1DYRK1A | |
| SCHEMBL3847660 | 0.77 | TGFBR1 (0.43) | CYP1A2METAP2TGFBR1DYRK1ARET | |
| SCHEMBL3846292 | 0.75 | FLT3 (0.45) | TGFBR1DYRK1APIK3CA | |
| SCHEMBL3848403 | 0.74 | DYRK1A (0.49) | CYP1A2METAP2TGFBR1DYRK1ARET |
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 |