Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | PAK1 | Q13153 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | CASP2 | P42575 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 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 | |
|---|---|---|---|---|
| SCHEMBL3561270 | 1.00 | SIGMAR1 (0.39) | SIGMAR1CDK4CCND1CDK2KDM1A | |
| SCHEMBL3561264 | 1.00 | SIGMAR1 (0.39) | SIGMAR1CDK4CCND1CDK2KDM1A | |
| SCHEMBL3570011 | 0.99 | CDK4 (0.37) | SIGMAR1CDK4CCND1CDK2KDM1A | |
| SCHEMBL3570005 | 0.99 | CDK4 (0.37) | SIGMAR1CDK4CCND1CDK2KDM1A | |
| SCHEMBL3570607 | 0.93 | CDK4 (0.39) | SIGMAR1CDK4CCND1CDK2KDM1A | |
| SCHEMBL3570604 | 0.93 | CDK4 (0.39) | SIGMAR1CDK4CCND1CDK2KDM1A | |
| SCHEMBL13344041 | 0.93 | CDK4 (0.39) | SIGMAR1CDK4CCND1CDK2KDM1A | |
| SCHEMBL3566383 | 0.91 | PAK1 (0.41) | CDK4CCND1CDK2KDM1APAK1 | |
| SCHEMBL13344043 | 0.91 | PAK1 (0.41) | CDK4CCND1CDK2KDM1APAK1 | |
| SCHEMBL3566378 | 0.91 | PAK1 (0.41) | CDK4CCND1CDK2KDM1APAK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | disclosed |