Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10238597 | 0.88 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL18542759 | 0.85 | DRD2 (0.45) | DRD2DRD3BCHE | |
| SCHEMBL12718204 | 0.79 | BCHE (0.40) | DRD2DRD3BCHECCR2KCNH2 | |
| SCHEMBL17286011 | 0.79 | HRH3 (0.39) | DRD3KCNH2CHRM5 | |
| SCHEMBL12718219 | 0.79 | BCHE (0.40) | DRD2DRD3BCHECCR2KCNH2 | |
| SCHEMBL17285991 | 0.79 | HRH3 (0.39) | DRD3KCNH2CHRM5 | |
| SCHEMBL9926453 | 0.79 | BCHE (0.40) | DRD2DRD3BCHECCR2KCNH2 | |
| SCHEMBL7853848 | 0.79 | HRH3 (0.39) | DRD3KCNH2CHRM5 | |
| SCHEMBL14685536 | 0.79 | — | — | |
| SCHEMBL4014571 | 0.79 | ADORA2A (0.33) | BCHEACHEMEN1KMT2AKDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7378411-B2 | Substituted thienopyrimidinones as a mitotic kinesin inhibitor | MERCK & CO., INC. (US) | 2008-05-27 | — | — | US | disclosed |
| US-7262186-B2 | Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor | MERCK & CO., INC. (US) | 2007-08-28 | — | — | US | disclosed |
| US-7262187-B2 | Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor | MERCK & CO., INC. (US) | 2007-08-28 | — | — | US | disclosed |
| US-7244723-B2 | Substituted furopyrimidinones as a mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-07-17 | — | — | US | disclosed |