Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | PBK | Q96KB5 | 4/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4050701 | 0.80 | PBK (0.41) | METAP2METAP1PBKCDK1CDK9 | |
| SCHEMBL4054581 | 0.77 | ADORA1 (0.40) | METAP2METAP1PBK | |
| SCHEMBL4059999 | 0.77 | METAP2 (0.38) | METAP2METAP1PBK | |
| SCHEMBL7300780 | 0.65 | METAP2 (0.33) | METAP2METAP1 | |
| SCHEMBL813686 | 0.64 | METAP2 (0.44) | METAP2METAP1CDK1 | |
| SCHEMBL4052899 | 0.60 | NPC1 (0.38) | CDK1 | |
| SCHEMBL976118 | 0.60 | METAP2 (0.48) | METAP2METAP1CDK1 | |
| SCHEMBL14409054 | 0.60 | METAP2 (0.44) | METAP2METAP1 | |
| Zarzissine SCHEMBL1514280 | 0.60 | NUDT1 (0.50) | METAP2METAP1 | |
| SCHEMBL6012369 | 0.60 | METAP2 (0.44) | METAP2METAP1CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |