Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 13/20 | 0.51 |
| ▸ | CDK1 | P06493 | 11/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.51 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.51 |
| ▸ | CLK2 | P49760 | 1/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.51 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.51 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.49 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.49 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 8/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19112102 | 0.90 | CDK1 (0.63) | TDP1NPSR1MAPTMAPK1MDM2 | |
| SCHEMBL23927311 | 0.83 | NPSR1 (0.54) | TDP1NPSR1MAPTMAPK1MDM2 | |
| SCHEMBL22651961 | 0.82 | NPSR1 (0.70) | TDP1NPSR1MAPTMAPK1MDM2 | |
| SCHEMBL15387124 | 0.81 | NPSR1 (0.67) | NPSR1MAPK1CDK2CDK1CDK5 | |
| SCHEMBL19112192 | 0.81 | NPSR1 (0.67) | NPSR1MAPK1CDK2CDK1CDK5 | |
| SCHEMBL19112178 | 0.81 | NPSR1 (0.67) | NPSR1MAPK1CDK2CDK1CDK5 | |
| SCHEMBL30356263 | 0.81 | NPSR1 (0.67) | NPSR1MAPK1CDK2CDK1CDK5 | |
| Hydrochloric Acid SCHEMBL23927317 | 0.81 | NPSR1 (0.66) | NPSR1MAPK1CDK2CDK1CDK5 | |
| SCHEMBL17004029 | 0.81 | CDK2 (0.65) | TDP1NPSR1MAPTMAPK1MDM2 | |
| Hydrochloric Acid SCHEMBL23927315 | 0.81 | NPSR1 (0.66) | NPSR1MAPK1CDK2CDK1CDK5 |
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-2021214315-A1 | PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2021-10-28 | — | — | WO | disclosed |