Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.38 |
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | AURKA | O14965 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL519563 | 0.89 | KDM4E (0.36) | GAAKDM4EL3MBTL1PTGS2CDK2 | |
| SCHEMBL3848485 | 0.85 | MEN1 (0.42) | KDM4EL3MBTL1PTGS2CCNE1CDK2 | |
| SCHEMBL3849213 | 0.85 | CYP3A4 (0.36) | GAAKDM4ELMNAAURKACYP1A2 | |
| SCHEMBL3846787 | 0.85 | POLB (0.39) | KDM4ELMNAPTGS2CCNE1CDK2 | |
| SCHEMBL3852882 | 0.84 | KIF11 (0.43) | KDM4ENPSR1MEN1NPC1RAB9A | |
| SCHEMBL3846485 | 0.82 | RAB9A (0.45) | KDM4ELMNAL3MBTL1PTGS2CCNE1 | |
| SCHEMBL3845601 | 0.82 | ALDH1A1 (0.39) | GAAKDM4ELMNAL3MBTL1AURKA | |
| SCHEMBL3847031 | 0.82 | TRPA1 (0.36) | CYP1A2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL3850096 | 0.82 | PTGS2 (0.39) | GAALMNAPTGS2MEN1NPC1 | |
| SCHEMBL4717109 | 0.81 | MAP2K4 (0.42) | MEN1KMT2AEGFR |
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 |