Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.35 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.35 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3847467 | 0.86 | SCN9A (0.35) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL3846760 | 0.84 | PDE7A (0.36) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL3855066 | 0.83 | ALDH1A1 (0.32) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL3848527 | 0.82 | PTGS2 (0.35) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL3852638 | 0.80 | MAPT (0.37) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL5852255 | 0.78 | SRC (0.38) | ALDH1A1MAPK1SRCBRAFKDR | |
| SCHEMBL3847623 | 0.77 | CYP1A2 (0.39) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL3855586 | 0.74 | LMNA (0.39) | CYP1A2ALDH1A1HSD17B10MAPK1CYP2C19 | |
| SCHEMBL3847832 | 0.72 | QPCT (0.45) | ALDH1A1GRIA1CA12CA9KDM4E | |
| SCHEMBL3847727 | 0.72 | PIK3CD (0.41) | CYP1A2ALDH1A1HSD17B10MAPK1CYP2C19 |
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 |