Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 6/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27670909 | 0.93 | CNR1 (0.35) | NPC1TSHRPDE4APDE4BPDE4C | |
| SCHEMBL27670844 | 0.85 | NPC1 (0.34) | CDK1NPC1RAB9ALMNAHPGD | |
| SCHEMBL27670910 | 0.82 | FFAR2 (0.32) | GRM1 | |
| SCHEMBL5431647 | 0.78 | NPSR1 (0.38) | LMNATSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL4525582 | 0.74 | CDK1 (0.38) | CDK1NPC1RAB9ALMNAHPGD | |
| SCHEMBL4506865 | 0.73 | CDK1 (0.40) | CDK1CXCR3 | |
| SCHEMBL2233449 | 0.72 | MAT2A (0.42) | CDK1NPC1RAB9ALMNAHPGD | |
| SCHEMBL27650758 | 0.71 | AKR1B1 (0.36) | NPC1LMNAHPGDTSHRSMN1; SMN2 | |
| SCHEMBL4978987 | 0.71 | SMN1; SMN2 (0.37) | CDK1NPC1RAB9ALMNAHPGD | |
| SCHEMBL5428540 | 0.70 | MEN1 (0.38) | NPC1RAB9ALMNAHPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |