Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 3/20 | 0.39 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.39 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 3/20 | 0.36 |
| ▸ | FPGS | Q05932 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.33 |
| ▸ | TEK | Q02763 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL4870787 | 0.80 | PARP1 (0.53) | IP6K1IP6K3IP6K2ROCK2DHFR | |
| SCHEMBL5197913 | 0.74 | IP6K1 (0.34) | IP6K1IP6K3IP6K2ROCK2DHFR | |
| SCHEMBL5097264 | 0.66 | PARP1 (0.56) | IP6K1IP6K3IP6K2ROCK2PARP1 | |
| SCHEMBL4066634 | 0.65 | PARP1 (0.58) | IP6K1IP6K3IP6K2ROCK2PARP1 | |
| SCHEMBL24617507 | 0.63 | PARP1 (0.58) | IP6K1IP6K3IP6K2ROCK2PARP1 | |
| SCHEMBL3796386 | 0.63 | MAPT (0.42) | IP6K1IP6K3IP6K2ALDH1A1KDM4E | |
| SCHEMBL4875349 | 0.63 | PARP1 (0.51) | IP6K1IP6K3IP6K2ROCK2DHFR | |
| SCHEMBL14003507 | 0.62 | L3MBTL1 (0.44) | IP6K1IP6K3IP6K2ROCK2PARP1 | |
| SCHEMBL29136065 | 0.61 | PARP1 (0.53) | IP6K1IP6K3IP6K2ROCK2PARP1 | |
| SCHEMBL27947189 | 0.61 | PARP1 (0.55) | IP6K1IP6K3IP6K2ROCK2PARP1 |
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-1814552-A2 | COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS | Astex Therapeutics Limited (GB) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006051290-A2 | COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-05-18 | — | — | WO | disclosed |