Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JMJD6 | Q6NYC1 | 3/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.39 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.38 |
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 | 0.92 | TGFBR1 (0.46) | TGFBR1TGFBR2AKT1AKT2 | |
| SCHEMBL3847225 | 0.88 | TGFBR1 (0.43) | TGFBR1TGFBR2 | |
| SCHEMBL3846841 | 0.87 | TGFBR1 (0.48) | TGFBR1TGFBR2AKT1AKT2 | |
| SCHEMBL4712454 | 0.87 | TGFBR1 (0.39) | TGFBR1TGFBR2 | |
| SCHEMBL3850395 | 0.84 | TGFBR1 (0.38) | TGFBR1TGFBR2NPC1RAB9AMEN1 | |
| SCHEMBL3857417 | 0.84 | TGFBR1 (0.42) | TGFBR1TGFBR2CYP2C9 | |
| SCHEMBL3852272 | 0.84 | TGFBR1 (0.41) | TGFBR1TGFBR2NPC1RAB9A | |
| SCHEMBL3849790 | 0.83 | AKT1 (0.37) | JMJD6TGFBR1NPC1RAB9AAKT1 | |
| SCHEMBL3846122 | 0.83 | FYN (0.42) | TGFBR1TGFBR2AKT1AKT2 | |
| SCHEMBL3846170 | 0.83 | TGFBR1 (0.46) | TGFBR1TGFBR2NPC1RAB9A |
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 |