Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GHSR | Q92847 | 7/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 3/20 | 0.34 |
| ▸ | CCND1 | P24385 | 3/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | WEE1 | P30291 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CCND2 | P30279 | 1/20 | 0.33 |
| ▸ | CCND3 | P30281 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TNK2 | Q07912 | 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 | |
|---|---|---|---|---|
| SCHEMBL3571125 | 1.00 | GHSR (0.41) | GHSRPDGFRBCDK4CCND1CDK2 | |
| SCHEMBL3573858 | 0.89 | PDGFRB (0.36) | GHSRPDGFRBCDK4CCND1CDK2 | |
| SCHEMBL3573854 | 0.89 | PDGFRB (0.36) | GHSRPDGFRBCDK4CCND1CDK2 | |
| SCHEMBL3564739 | 0.88 | CDK4 (0.40) | GHSRCDK4CCND1CDK2WEE1 | |
| SCHEMBL13344011 | 0.88 | CDK4 (0.40) | GHSRCDK4CCND1CDK2WEE1 | |
| SCHEMBL3564742 | 0.88 | CDK4 (0.40) | GHSRCDK4CCND1CDK2WEE1 | |
| SCHEMBL3564658 | 0.86 | CDK4 (0.40) | GHSRCDK4CCND1CDK2WEE1 | |
| SCHEMBL3564654 | 0.86 | CDK4 (0.40) | GHSRCDK4CCND1CDK2WEE1 | |
| SCHEMBL3562585 | 0.85 | GHSR (0.36) | GHSRCDK4CCND1CDK2MAOA | |
| SCHEMBL3562581 | 0.85 | GHSR (0.36) | GHSRCDK4CCND1CDK2MAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7713994-B2 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof | WYETH LLC (US) | 2010-05-11 | — | — | US | claimed |
| 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 |