Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.35 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | CASP2 | P42575 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3574166 | 1.00 | CDK4 (0.38) | CDK4CCND1CDK2TNIKAPP | |
| SCHEMBL3568522 | 0.99 | CDK4 (0.39) | CDK4CCND1CDK2TNIKAPP | |
| SCHEMBL3568526 | 0.99 | CDK4 (0.39) | CDK4CCND1CDK2TNIKAPP | |
| SCHEMBL3571253 | 0.91 | HIF1A (0.47) | MAPTKDM4EALDH1A1HRH3LMNA | |
| SCHEMBL3571258 | 0.91 | HIF1A (0.47) | MAPTKDM4EALDH1A1HRH3LMNA | |
| SCHEMBL3568233 | 0.90 | MEN1 (0.39) | APPMAPTKDM4EALDH1A1LMNA | |
| SCHEMBL13344254 | 0.90 | MEN1 (0.39) | APPMAPTKDM4EALDH1A1LMNA | |
| SCHEMBL3572642 | 0.89 | ALDH1A1 (0.36) | APPMAPTKDM4EALDH1A1KMT2A | |
| SCHEMBL3572638 | 0.89 | ALDH1A1 (0.36) | APPMAPTKDM4EALDH1A1KMT2A | |
| SCHEMBL3566999 | 0.88 | KDM4E (0.45) | CDK4CCND1TNIKMAPTKDM4E |
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 1 patent. 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 |