Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 7/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 6/20 | 0.32 |
| ▸ | FEN1 | P39748 | 6/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL3854489 | 0.93 | PTGS2 (0.35) | PTGS2KITCA12CA1CA2 | |
| SCHEMBL3846444 | 0.92 | CA12 (0.33) | PTGS1PTGS2KITALOX5APFEN1 | |
| SCHEMBL3849627 | 0.90 | ALOX5AP (0.35) | KITALOX5APFEN1 | |
| SCHEMBL3846505 | 0.89 | PTGS2 (0.33) | PTGS2KITPIK3CAMTORRXRA | |
| SCHEMBL3852121 | 0.88 | BRD4 (0.32) | KITPIK3CAMTOR | |
| SCHEMBL3854275 | 0.88 | CYP3A4 (0.33) | KITALOX5APFEN1CA12CA1 | |
| SCHEMBL3846261 | 0.87 | CA12 (0.34) | KITCA12CA1CA2CA9 | |
| SCHEMBL3853047 | 0.87 | CA12 (0.32) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL3848501 | 0.86 | CA12 (0.35) | KITCA12CA1CA2CA9 | |
| SCHEMBL3851189 | 0.86 | CA12 (0.32) | CA12CA1CA2CA9MAP4K4 |
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 |