Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STK17B | O94768 | 1/20 | 0.33 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.33 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KIT | P10721 | 2/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | CD38 | P28907 | 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 | |
|---|---|---|---|---|
| SCHEMBL3854332 | 0.91 | KIT (0.35) | CA12CA1CA2CA9KIT | |
| SCHEMBL4715276 | 0.90 | KIT (0.38) | LMNAPTGS2KITPIK3CAMTOR | |
| Hydrochloric Acid SCHEMBL3854735 | 0.89 | KIT (0.38) | LMNAPTGS2KITPIK3CAMTOR | |
| Hydrochloric Acid SCHEMBL3846886 | 0.89 | MAP4K4 (0.34) | MAP3K8CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL3851460 | 0.88 | MAP4K4 (0.38) | LMNAKITMAP4K4 | |
| SCHEMBL3848264 | 0.88 | CYP1A2 (0.39) | LMNAPIK3CDPIK3CAPIK3CBMTOR | |
| SCHEMBL3848218 | 0.88 | KIT (0.36) | LMNAKITCD38 | |
| SCHEMBL3847588 | 0.87 | KIT (0.35) | STK17BCA12CA1CA2CA9 | |
| SCHEMBL3848216 | 0.87 | CA12 (0.34) | CA12CA1CA2CA9LMNA | |
| Hydrochloric Acid SCHEMBL5853419 | 0.86 | MAP4K4 (0.37) | STK17BMAP3K8LMNAKITPIK3CA |
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 |