Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.70 |
| ▸ | CCNK | O75909 | 4/20 | 0.61 |
| ▸ | CDK12 | Q9NYV4 | 4/20 | 0.61 |
| ▸ | CDK2 | P24941 | 14/20 | 0.56 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.56 |
| ▸ | CDK9 | P50750 | 5/20 | 0.56 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.56 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.56 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.56 |
| ▸ | CDK5 | Q00535 | 12/20 | 0.56 |
| ▸ | CDK5R1 | Q15078 | 10/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 9/20 | 0.55 |
| ▸ | CCNA2 | P20248 | 8/20 | 0.55 |
| ▸ | CCNA1 | P78396 | 8/20 | 0.55 |
| ▸ | CDK1 | P06493 | 7/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19112172 | 1.00 | NPSR1 (0.70) | NPSR1CCNKCDK12CDK2CCNE1 | |
| SCHEMBL22651834 | 0.90 | NPSR1 (0.85) | NPSR1CCNKCDK12CDK2CCNE1 | |
| SCHEMBL15387124 | 0.90 | NPSR1 (0.67) | NPSR1CCNKCDK12CDK2CCNE1 | |
| SCHEMBL30356263 | 0.90 | NPSR1 (0.67) | NPSR1CCNKCDK12CDK2CCNE1 | |
| SCHEMBL19112192 | 0.90 | NPSR1 (0.67) | NPSR1CCNKCDK12CDK2CCNE1 | |
| SCHEMBL19112178 | 0.90 | NPSR1 (0.67) | NPSR1CCNKCDK12CDK2CCNE1 | |
| Hydrochloric Acid SCHEMBL23927317 | 0.89 | NPSR1 (0.66) | NPSR1CCNKCDK12CDK2CCNE1 | |
| Hydrochloric Acid SCHEMBL23927315 | 0.89 | NPSR1 (0.66) | NPSR1CCNKCDK12CDK2CCNE1 | |
| Hydrochloric Acid SCHEMBL30268945 | 0.89 | NPSR1 (0.66) | NPSR1CCNKCDK12CDK2CCNE1 | |
| SCHEMBL23993161 | 0.85 | CDK1 (0.65) | NPSR1CCNKCDK12CDK2CCNE1 |
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 |