Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.33 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3847981 | 0.86 | ADORA2A (0.43) | ALDH1A3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL3845762 | 0.81 | PRKDC (0.36) | KIF11MAPK13RAF1MAPK12MAPK11 | |
| SCHEMBL3847403 | 0.69 | ALDH1A1 (0.36) | TSHRADORA2AMEN1KMT2A | |
| SCHEMBL28916303 | 0.68 | AURKA (0.39) | TSHRCYP19A1ADORA2AMEN1KMT2A | |
| SCHEMBL3848166 | 0.68 | ADORA2A (0.41) | ALDH1A3TSHRPRKDCGABRA1GABRG2 | |
| SCHEMBL519563 | 0.67 | KDM4E (0.36) | TSHRMEN1KMT2AATM | |
| SCHEMBL23607308 | 0.67 | ALDH1A3 (0.57) | MAPK13RAF1MAPK12MAPK11MAPK14 | |
| SCHEMBL23234347 | 0.67 | ALDH1A3 (0.57) | MAPK13RAF1MAPK12MAPK11MAPK14 | |
| SCHEMBL23234338 | 0.67 | ALDH1A3 (0.57) | MAPK13RAF1MAPK12MAPK11MAPK14 | |
| SCHEMBL22405796 | 0.66 | ALDH1A1 (0.38) | TSHR |
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 |