Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 10/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL746012 | 0.91 | ABCB1 (0.54) | ABCB1MAPTNPSR1MAOAMAOB | |
| SCHEMBL13075705 | 0.91 | ABCG2 (0.51) | ABCB1MAPTNPSR1MAOAMAOB | |
| SCHEMBL20858996 | 0.90 | ABCB1 (0.51) | ABCB1MAPTNPSR1MAOAMAOB | |
| SCHEMBL13075863 | 0.89 | ABCB1 (0.42) | ABCB1MAPTNPSR1ABCG2 | |
| SCHEMBL7025976 | 0.88 | ABCB1 (0.51) | ABCB1MAPTNPSR1MAOAMAOB | |
| SCHEMBL13075834 | 0.87 | NFKB1 (0.47) | ABCB1MAPTNPSR1MAOAMAOB | |
| SCHEMBL13075649 | 0.86 | ABCG2 (0.50) | MAPTNPSR1MAOAMAOBCCNB2 | |
| SCHEMBL3704218 | 0.83 | ABCB1 (0.51) | ABCB1MAPTNPSR1ABCG2 | |
| SCHEMBL746910 | 0.82 | ABCG2 (0.54) | ABCB1MAPTNPSR1MAOBABCG2 | |
| SCHEMBL744120 | 0.82 | ABCB1 (0.52) | ABCB1MAPTNPSR1MAOAMAOB |
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-2010129858-A1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER | GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2010-11-11 | — | — | WO | disclosed |