Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.34 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.34 |
| ▸ | AGXT | P21549 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.33 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | GSTA1 | P08263 | 1/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL92994 | 0.79 | KDM4E (0.43) | CCNE2CCNE1CDK2CCNB2CDK1 | |
| SCHEMBL13039505 | 0.78 | CCNE2 (0.40) | ESR1CYP2C19CCNE2CCNE1CDK2 | |
| SCHEMBL16948238 | 0.78 | ALOX5 (0.36) | AGXTCYP2C9CYP2C19CCNE2CCNE1 | |
| SCHEMBL4483339 | 0.71 | ALDH1A1 (0.38) | AGXTKMT2A | |
| SCHEMBL5586804 | 0.69 | LTA4H (0.44) | ESR1LTA4HNR5A1CYP19A1CYP2C9 | |
| SCHEMBL14113837 | 0.69 | CYP1A2 (0.39) | LTA4HNR5A1CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8500701 | 0.69 | AGXT (0.45) | AGXTKMT2AENPP2 | |
| SCHEMBL10440855 | 0.68 | AGXT (0.51) | AGXTCYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL28974964 | 0.67 | LTA4H (0.42) | ESR1LTA4HNR5A1CYP19A1CYP2C9 | |
| SCHEMBL17758568 | 0.67 | KDM4E (0.41) | CCNE2CCNE1CDK2CCNB2CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1874117-B1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE CO (US) | 2013-08-28 | — | — | EP | disclosed |