Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | DDB1 | Q16531 | 3/20 | 0.47 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP2 | P42575 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11500497 | 0.84 | EPHX2 (0.46) | EPHX2DDB1CRBNUSP2GAA | |
| SCHEMBL14218702 | 0.83 | EPHX2 (0.67) | EPHX2GAANPC1CASP3CASP2 | |
| SCHEMBL31033188 | 0.81 | EPHX2 (0.73) | EPHX2DDB1CRBNUSP2GAA | |
| SCHEMBL22122276 | 0.79 | MAPT (0.44) | DDB1CRBNGAABRD4KMT2A | |
| SCHEMBL11071961 | 0.78 | DDB1 (0.50) | EPHX2DDB1CRBNGAABRD4 | |
| SCHEMBL6444435 | 0.76 | DDB1 (0.49) | EPHX2DDB1CRBNGAABRD4 | |
| SCHEMBL13911377 | 0.75 | NPC1 (0.47) | EPHX2DDB1CRBNGAABRD4 | |
| SCHEMBL22605706 | 0.74 | DDB1 (0.46) | EPHX2DDB1CRBNGAABRD4 | |
| SCHEMBL21037372 | 0.74 | EPHX2 (0.63) | EPHX2GAANPC1CASP3CASP2 | |
| SCHEMBL14192102 | 0.74 | DDB1 (0.46) | EPHX2DDB1CRBNGAABRD4 |
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 5 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 |
| US-7192949-B2 | Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors | MERCK & CO., INC. (US) | 2007-03-20 | — | — | US | disclosed |