Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PRKCA | P17252 | 3/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | DRD5 | P21918 | 2/20 | 0.35 |
| ▸ | CDK1 | P06493 | 4/20 | 0.35 |
| ▸ | CLK1 | P49759 | 3/20 | 0.35 |
| ▸ | CLK2 | P49760 | 3/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
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 | 0.82 | DRD1 (0.52) | GRM1PRKCACNR1HTTDRD1 | |
| SCHEMBL4421685 | 0.81 | DRD1 (0.51) | GRM1TP53PRKCACNR1DRD1 | |
| SCHEMBL4506947 | 0.80 | DRD1 (0.55) | GRM1TP53LMNAPRKCACNR1 | |
| SCHEMBL5441857 | 0.79 | PDE5A (0.42) | GRM1TP53PRKCACNR1HTT | |
| SCHEMBL4427346 | 0.79 | DRD1 (0.53) | GRM1TP53LMNAPRKCACNR1 | |
| SCHEMBL1993358 | 0.77 | CNR1 (0.43) | GRM1LMNACNR1HTTCDK1 | |
| SCHEMBL5428510 | 0.77 | CNR1 (0.38) | LMNACNR1CDK1CCNB1NPC1 | |
| SCHEMBL5440724 | 0.77 | PDE7A (0.46) | GRM1TP53LMNAPRKCACNR1 | |
| SCHEMBL5425885 | 0.77 | PDE7A (0.44) | GRM1TP53LMNACNR1DRD1 | |
| SCHEMBL5438770 | 0.76 | PDE7A (0.38) | GRM1TP53LMNAPRKCACNR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1902201-A | Bicyclic pyrimidin-4-(3H)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) | MERCK SHARP & DOHME (GB) | 2007-01-24 | — | — | CN | claimed |
| CN-1902201-A | Bicyclic pyrimidin-4-(3H)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) | MERCK SHARP & DOHME (GB) | 2007-01-24 | — | — | CN | disclosed |