Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.58 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.58 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.58 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.58 |
| ▸ | BRD4 | O60885 | 2/20 | 0.57 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.57 |
| ▸ | MAOA | P21397 | 3/20 | 0.56 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | DRD5 | P21918 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2945674 | 0.84 | BRD4 (0.62) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL13772696 | 0.80 | NPC1 (0.53) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL14192103 | 0.80 | NPC1 (0.53) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL13911356 | 0.80 | NPC1 (0.53) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL5102001 | 0.78 | AHR (0.55) | NPC1BRD4MAOAMAOBAHR | |
| SCHEMBL29365738 | 0.74 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL10032 | 0.74 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4227502 | 0.74 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL98108 | 0.73 | MAOA (1.00) | MAOAMAOBDRD1DRD3DRD5 | |
| SCHEMBL29390912 | 0.73 | MAOA (1.00) | MAOAMAOBDRD1DRD3DRD5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1481077-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-11-04 | — | — | EP | disclosed |
| US-7192949-B2 | Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors | MERCK & CO., INC. (US) | 2007-03-20 | — | — | US | disclosed |