Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 3/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.39 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6030272 | 0.92 | CHEK1 (0.37) | GRIN1GRIN2BCHEK1CDK9CYP3A4 | |
| SCHEMBL6029742 | 0.90 | CDK9 (0.38) | CDK9SLC6A2SLC6A4 | |
| SCHEMBL6029349 | 0.89 | MAPK1 (0.38) | CDK9CYP3A4SLC6A2SLC6A4TP53 | |
| SCHEMBL6030392 | 0.88 | CHEK1 (0.41) | GRIN1GRIN2BCHEK1CDK9CYP2C19 | |
| SCHEMBL7826595 | 0.88 | SLC6A4 (0.39) | GRIN1GRIN2BCYP3A4SLC6A2SLC6A4 | |
| SCHEMBL6030283 | 0.81 | GHSR (0.37) | GRIN1GRIN2BCHEK1CDK9CYP3A4 | |
| SCHEMBL7831249 | 0.81 | SLC6A4 (0.38) | CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL6028530 | 0.81 | CHEK1 (0.37) | GRIN1GRIN2BCHEK1CDK9CYP3A4 | |
| SCHEMBL6030139 | 0.79 | ALOX15 (0.37) | CDK9SLC6A2SLC6A4MAPT | |
| SCHEMBL6029151 | 0.79 | CHEK1 (0.39) | GRIN1GRIN2BCHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6984643-B2 | 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists | ROCHE PALO ALTO LLC (US) | 2006-01-10 | — | — | US | disclosed |