Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | CDK2 | P24941 | 17/20 | 0.58 |
| ▸ | CDK5 | Q00535 | 13/20 | 0.58 |
| ▸ | CDK5R1 | Q15078 | 11/20 | 0.58 |
| ▸ | CCNE1 | P24864 | 7/20 | 0.58 |
| ▸ | CDK9 | P50750 | 4/20 | 0.58 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.58 |
| ▸ | DYRK1A | Q13627 | 11/20 | 0.56 |
| ▸ | CCNA2 | P20248 | 10/20 | 0.56 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.56 |
| ▸ | CDK1 | P06493 | 7/20 | 0.56 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.56 |
| ▸ | CDK7 | P50613 | 4/20 | 0.55 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.55 |
| ▸ | CLK2 | P49760 | 2/20 | 0.55 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.55 |
| ▸ | CSNK1G1 | Q9HCP0 | 2/20 | 0.55 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.55 |
| ▸ | CDK4 | P11802 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL19112171 | 1.00 | NPSR1 (0.60) | NPSR1CDK2CDK5CDK5R1CCNE1 | |
| SCHEMBL23993161 | 0.91 | CDK1 (0.65) | NPSR1CDK2CDK5CDK5R1CCNE1 | |
| SCHEMBL19112178 | 0.90 | NPSR1 (0.67) | NPSR1CDK2CDK5CDK5R1CCNE1 | |
| SCHEMBL15387124 | 0.90 | NPSR1 (0.67) | NPSR1CDK2CDK5CDK5R1CCNE1 | |
| SCHEMBL30356263 | 0.90 | NPSR1 (0.67) | NPSR1CDK2CDK5CDK5R1CCNE1 | |
| SCHEMBL19112192 | 0.90 | NPSR1 (0.67) | NPSR1CDK2CDK5CDK5R1CCNE1 | |
| Hydrochloric Acid SCHEMBL30268945 | 0.89 | NPSR1 (0.66) | NPSR1CDK2CDK5CDK5R1CCNE1 | |
| Hydrochloric Acid SCHEMBL23927317 | 0.89 | NPSR1 (0.66) | NPSR1CDK2CDK5CDK5R1CCNE1 | |
| Hydrochloric Acid SCHEMBL23927315 | 0.89 | NPSR1 (0.66) | NPSR1CDK2CDK5CDK5R1CCNE1 | |
| SCHEMBL23992718 | 0.89 | NPSR1 (0.59) | NPSR1CDK2CDK5CDK5R1CCNE1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3901154-A1 | PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES | Commissariat à l'énergie atomique et aux énergies alternatives (FR) | 2021-10-27 | — | — | EP | disclosed |
| EP-2664619-B1 | Purine derivatives as tools for screening anti-Alzheimer compounds | MANROS THERAPEUTICS (FR) | 2017-07-12 | — | — | EP | disclosed |