Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 12/20 | 0.51 |
| ▸ | DRD5 | P21918 | 12/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CLK1 | P49759 | 3/20 | 0.37 |
| ▸ | CLK2 | P49760 | 3/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4413685 | 0.99 | DRD1 (0.52) | DRD1DRD5SMN1; SMN2KCNH2GRM1 | |
| SCHEMBL4523465 | 0.92 | DRD1 (0.43) | DRD1DRD5SMN1; SMN2KCNH2GRM1 | |
| SCHEMBL3185708 | 0.89 | DRD1 (0.41) | DRD1DRD5PRKCACNR1CDK1 | |
| SCHEMBL4515104 | 0.89 | DRD1 (0.41) | DRD1DRD5PRKCACNR1CDK1 | |
| SCHEMBL4522200 | 0.89 | DRD1 (0.41) | DRD1DRD5GRM1PRKCACNR1 | |
| SCHEMBL3176808 | 0.89 | DRD1 (0.41) | DRD1DRD5PRKCACNR1CDK1 | |
| SCHEMBL3185701 | 0.89 | DRD1 (0.41) | DRD1DRD5PRKCACNR1CDK1 | |
| SCHEMBL4513362 | 0.86 | CNR1 (0.42) | DRD1DRD5CNR1NPC1CYP1A2 | |
| SCHEMBL4518485 | 0.84 | DRD1 (0.57) | DRD1DRD5SMN1; SMN2GRM1CNR1 | |
| SCHEMBL4530720 | 0.84 | DRD1 (0.41) | DRD1DRD5PRKCACNR1CLK1 |
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-2009121036-A2 | SUBSTITUTED ARYL PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2009-10-01 | — | — | WO | claimed |