Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PIK3R2 | O00459 | 2/20 | 0.38 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 4/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3852827 | 0.84 | GSK3B (0.42) | MAPK1PRKCIMAPK13MAPK12MAPK11 | |
| Hydrochloric Acid SCHEMBL3850485 | 0.81 | JAK2 (0.37) | POLBPIK3R2CDK9MAPK13MAPK12 | |
| SCHEMBL5696773 | 0.79 | PRKCI (0.46) | PRKCICDK9MAPK14TGFBR1ADORA2A | |
| SCHEMBL3852004 | 0.78 | MAPT (0.42) | GRIN2BCYP1A2 | |
| SCHEMBL3846713 | 0.77 | POLB (0.41) | POLBMAPK1PIK3R2SLC11A2PRKCI | |
| SCHEMBL5697063 | 0.76 | MAPK14 (0.45) | MAPK13MAPK12MAPK11MAPK14TGFBR1 | |
| SCHEMBL5697003 | 0.76 | QPCT (0.40) | PRKCIGRIN1GRIN2BCDK9MAPK14 | |
| Hydrochloric Acid SCHEMBL3847895 | 0.75 | MAPT (0.36) | PIK3R2PRKCICDK9 | |
| SCHEMBL11988767 | 0.74 | POLB (0.64) | POLBMAPK1SLC11A2CCNE1CDK2 | |
| Hydrochloric Acid SCHEMBL3847696 | 0.74 | ATM (0.34) | CDK9 |
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 |