Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2576486 | 0.72 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL19538366 | 0.71 | CYP3A4 (0.33) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL28635021 | 0.69 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL16755617 | 0.67 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL11707457 | 0.67 | ALDH1A1 (0.35) | CYP3A4TDP1ESR1 | |
| Hydrochloric Acid SCHEMBL28467021 | 0.66 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL18261173 | 0.66 | ALDH1A1 (0.33) | CYP3A4TDP1 | |
| SCHEMBL2574194 | 0.66 | MEN1 (0.42) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL14938874 | 0.62 | TDP1 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL3305686 | 0.62 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0369528-B1 | CATALYST COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-01-02 | — | — | EP | disclosed |
| EP-0369528-A1 | Catalyst compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-05-23 | — | — | EP | disclosed |