Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15364391 | 0.98 | ESR1 (0.32) | ESR1ESR2ATMCYP3A4TDP1 | |
| SCHEMBL15364389 | 0.98 | ESR1 (0.32) | ESR1ESR2ATMCYP3A4TDP1 | |
| SCHEMBL27792155 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4456007 | 0.94 | ATM (0.31) | ESR1ESR2ATMCYP3A4TDP1 | |
| SCHEMBL27792160 | 0.79 | PTGS2 (0.36) | ESR1TDP1CES2CES1 | |
| Hydrochloric Acid SCHEMBL4457776 | 0.74 | KDM1A (0.39) | CYP3A4TDP1 | |
| SCHEMBL7034315 | 0.73 | SLC6A2 (0.33) | ESR1ESR2 | |
| SCHEMBL270368 | 0.72 | ESR1 (0.31) | ESR1ESR2CYP3A4TDP1 | |
| SCHEMBL268906 | 0.72 | ESR1 (0.31) | ESR1ESR2CYP3A4TDP1 | |
| SCHEMBL15364060 | 0.72 | GAA (0.38) | ATM |
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-1958969-A1 | A phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same | Petrochina Company Limited (CN) | 2008-08-20 | — | — | EP | disclosed |