Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 5/20 | 0.48 |
| ▸ | CLK2 | P49760 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3845039 | 0.86 | TGFBR1 (0.46) | — | |
| SCHEMBL3855071 | 0.85 | CLK1 (0.52) | CLK1CLK2DYRK1ACLK4DYRK1B | |
| SCHEMBL3847225 | 0.83 | TGFBR1 (0.43) | — | |
| SCHEMBL3846594 | 0.82 | JMJD6 (0.42) | DYRK1ADYRK1BNPC1RAB9AKMT2A | |
| SCHEMBL3845403 | 0.81 | TGFBR1 (0.40) | CLK1DYRK1ANPC1RAB9ATP53 | |
| SCHEMBL3846841 | 0.81 | TGFBR1 (0.48) | — | |
| SCHEMBL3846122 | 0.81 | FYN (0.42) | — | |
| SCHEMBL4712454 | 0.81 | TGFBR1 (0.39) | — | |
| SCHEMBL3850395 | 0.80 | TGFBR1 (0.38) | NPC1RAB9AKMT2AGAAMEN1 | |
| SCHEMBL3854561 | 0.79 | TGFBR1 (0.37) | — |
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 |