Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | ITGAL | P20701 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | F10 | P00742 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4720758 | 1.00 | CDK1 (0.35) | CDK1CDK2ITGB2ICAM1ITGAL | |
| SCHEMBL4720516 | 0.91 | ITGB2 (0.35) | CDK1CDK2ITGB2ICAM1ITGAL | |
| SCHEMBL4720518 | 0.91 | ITGB2 (0.35) | CDK1CDK2ITGB2ICAM1ITGAL | |
| SCHEMBL14101744 | 0.88 | AKR1B10 (0.35) | ARF10F2S1PR1 | |
| SCHEMBL4719067 | 0.87 | ITGB2 (0.35) | CDK1CDK2ITGB2ICAM1ITGAL | |
| SCHEMBL4719061 | 0.87 | ITGB2 (0.35) | CDK1CDK2ITGB2ICAM1ITGAL | |
| SCHEMBL4721675 | 0.84 | CDK1 (0.38) | CDK1CDK2ITGB2ICAM1ITGAL | |
| SCHEMBL4721666 | 0.84 | CDK1 (0.38) | CDK1CDK2ITGB2ICAM1ITGAL | |
| SCHEMBL4720319 | 0.84 | ITGB2 (0.36) | ITGB2ICAM1ITGALABL1LRRK2 | |
| SCHEMBL4720326 | 0.84 | ITGB2 (0.36) | ITGB2ICAM1ITGALABL1LRRK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |