Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 4/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.42 |
| ▸ | PRUNE1 | Q86TP1 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.39 |
| ▸ | CDK2 | P24941 | 4/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7013199 | 0.84 | CDK1 (0.39) | CDK1CDK5PRUNE1CCNE1CDK2 | |
| SCHEMBL6202754 | 0.82 | CDK5 (0.43) | CDK1CDK5PRUNE1CCNE1CDK2 | |
| SCHEMBL7006709 | 0.77 | CDK1 (0.61) | CDK1CDK5CCNE1CDK2CCNE2 | |
| SCHEMBL7011138 | 0.75 | APP (0.56) | CDK1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6202760 | 0.74 | CDK1 (0.40) | CDK1CDK5PRUNE1CCNE1CDK2 | |
| SCHEMBL3332989 | 0.73 | CDK1 (0.76) | CDK1CDK5CCNE1CDK2CCNE2 | |
| SCHEMBL6205006 | 0.71 | CDK1 (0.44) | CDK1CDK5CCNE1CDK2CCNE2 | |
| SCHEMBL14779413 | 0.69 | CSF1R (0.53) | CDK1CDK2TSHRMAPK1SMN1; SMN2 | |
| SCHEMBL6205602 | 0.69 | PARP1 (0.37) | PRUNE1CCNE1CDK2CCNE2PDE4A | |
| SCHEMBL6203167 | 0.68 | CCNE1 (0.41) | CDK1CDK5PRUNE1CCNE1CDK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1147108-B1 | SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF | USTAV EX BOTAN AKADEMIE VED CE (CZ) | 2003-08-13 | — | — | EP | disclosed |
| US-6552192-B1 | Inhibiting cyclin dependent kinase proteins, viruses, and immunostimulation; antimitotic, antiviral, anticancinogenic, antidegenerative, immunosuppressive | USTAU EXPERIMENTALNI BOTANIKY AV-CR (CZ) | 2003-04-22 | — | — | US | disclosed |
| EP-1147108-A1 | SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF | Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000043394-A1 | SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF | ÚSTAV EXPERIMENTÁLNÍ BOTANIKY AV CR (CZ) | 2000-07-27 | — | — | WO | disclosed |