Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 8/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.39 |
| ▸ | CDK2 | P24941 | 3/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19112099 | 0.82 | NPSR1 (0.47) | CDK1CDK5ALDH1A1TDP1MAPT | |
| SCHEMBL19112204 | 0.82 | CDK2 (0.43) | CDK1CDK5ALDH1A1MAPK1CYP3A4 | |
| SCHEMBL19112198 | 0.79 | CDK1 (0.57) | CDK1CDK5ALDH1A1MAPK1CYP3A4 | |
| SCHEMBL22651959 | 0.79 | CDK1 (0.57) | CDK1CDK5ALDH1A1MAPK1CYP3A4 | |
| SCHEMBL23992724 | 0.79 | CDK1 (0.57) | CDK1CDK5ALDH1A1MAPK1CYP3A4 | |
| SCHEMBL19112167 | 0.77 | CCNE1 (0.53) | CDK1CCNE1CDK2CCNE2CCNA2 | |
| SCHEMBL15387111 | 0.75 | MAPT (0.53) | CDK1CDK5ALDH1A1TDP1MAPT | |
| SCHEMBL15387122 | 0.71 | CDK1 (0.57) | CDK1ALDH1A1TDP1MAPTMAPK1 | |
| SCHEMBL2311224 | 0.69 | GBA1 (0.47) | CDK1CDK5ALDH1A1TDP1MAPT | |
| SCHEMBL23992703 | 0.69 | CDK1 (0.57) | CDK1CDK5ALDH1A1MAPK1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2664619-B1 | Purine derivatives as tools for screening anti-Alzheimer compounds | MANROS THERAPEUTICS (FR) | 2017-07-12 | — | — | EP | disclosed |