Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 8/20 | 0.36 |
| ▸ | CASP3 | P42574 | 7/20 | 0.36 |
| ▸ | CASP7 | P55210 | 7/20 | 0.36 |
| ▸ | CDK1 | P06493 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CDK8 | P49336 | 3/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL3848412 | 0.92 | PIK3CA (0.33) | KCNH2 | |
| SCHEMBL3852559 | 0.91 | BACE1 (0.36) | BRD4KCNH2 | |
| SCHEMBL3850518 | 0.88 | CYP46A1 (0.38) | CDK8CCNC | |
| SCHEMBL3846081 | 0.87 | PDGFRB (0.34) | — | |
| SCHEMBL3848853 | 0.87 | ALDH1A1 (0.36) | CDK9CDK1CDK2CDK8CCNC | |
| SCHEMBL3846611 | 0.86 | MTOR (0.33) | CDK8 | |
| SCHEMBL3850734 | 0.86 | CDK8 (0.39) | CDK9CASP3CASP7CDK1CDK2 | |
| SCHEMBL3846268 | 0.85 | HTR1A (0.35) | KCNH2LMNA | |
| SCHEMBL3846245 | 0.85 | DRD2 (0.39) | — | |
| SCHEMBL3846434 | 0.85 | AKR1C3 (0.36) | KDM4E |
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 |