Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL274988 | 0.83 | AR (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2 | |
| SCHEMBL29999042 | 0.83 | AR (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2 | |
| SCHEMBL16620122 | 0.83 | EPHX2 (0.57) | CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2 | |
| SCHEMBL6602968 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2 | |
| SCHEMBL31146306 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2 | |
| SCHEMBL29535627 | 0.79 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2 | |
| SCHEMBL6557195 | 0.79 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2 | |
| SCHEMBL16620534 | 0.77 | KDM4E (0.48) | CYP1A2CYP2C9CYP2C19SMN1; SMN2GAA | |
| SCHEMBL24474072 | 0.76 | KMT2A (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2 | |
| SCHEMBL29486454 | 0.76 | AR (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015049325-A1 | THERAPEUTIC INHIBITORS OF CDK8 AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-09 | — | — | WO | disclosed |
| US-20150045255-A1 | Endometrial Phase or Endometrial Cancer Biomarkers | WALFISH, PAUL (CA) | 2015-02-12 | — | — | US | disclosed |