Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 6/20 | 0.34 |
| ▸ | CA1 | P00915 | 6/20 | 0.34 |
| ▸ | CA2 | P00918 | 6/20 | 0.34 |
| ▸ | CA9 | Q16790 | 6/20 | 0.34 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | GHSR | Q92847 | 4/20 | 0.33 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CBFB | Q13951 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
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 | 0.87 | KIT (0.35) | CA12CA1CA2CA9 | |
| SCHEMBL4715276 | 0.86 | KIT (0.38) | PTGS2 | |
| SCHEMBL3852540 | 0.85 | STK17B (0.33) | PTGS2CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL3854735 | 0.85 | KIT (0.38) | PTGS2 | |
| Hydrochloric Acid SCHEMBL3846886 | 0.85 | MAP4K4 (0.34) | CA12CA1CA2CA9 | |
| SCHEMBL3848264 | 0.85 | CYP1A2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL3851460 | 0.85 | MAP4K4 (0.38) | — | |
| SCHEMBL3848218 | 0.85 | KIT (0.36) | — | |
| SCHEMBL3847588 | 0.84 | KIT (0.35) | CA12CA1CA2CA9 | |
| SCHEMBL3848216 | 0.84 | CA12 (0.34) | CA12CA1CA2CA9 |
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 |