Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL5732165 | 0.98 | CYP3A4 (0.46) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL30995227 | 0.96 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL27564134 | 0.96 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL29960204 | 0.96 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL31070079 | 0.96 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2DRD1 | |
| Hydrochloric Acid SCHEMBL23273899 | 0.96 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL31281697 | 0.96 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL29802768 | 0.96 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2DRD1 | |
| Hydrochloric Acid SCHEMBL20700137 | 0.94 | CYP3A4 (0.42) | CYP3A4TDP1ESR1ESR2DRD1 | |
| Hydrochloric Acid SCHEMBL31152752 | 0.92 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2DRD1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1019422-B1 | PHOSPHINE-SUBSTITUTED COBALTICINIUM SALTS, PRODUCTION THEREOF, AND USE OF THE SAME AS CONSTITUENTS OF CATALYSTS | CELANESE CHEM EUROPE GMBH (DE) | 2002-05-02 | — | — | EP | disclosed |
| EP-1019422-A1 | PHOSPHINE-SUBSTITUTED COBALTICINIUM SALTS, PRODUCTION THEREOF, AND USE OF THE SAME AS CONSTITUENTS OF CATALYSTS | Celanese Chemicals Europe GmbH (DE) | 2000-07-19 | — | — | EP | disclosed |
| WO-1999016776-A1 | PHOSPHINE-SUBSTITUTED COBALTICINIUM SALTS, PRODUCTION THEREOF, AND USE OF THE SAME AS CONSTITUENTS OF CATALYSTS | CELANESE CHEMICALS EUROPE GMBH (DE) | 1999-04-08 | — | — | WO | disclosed |