Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL2304866 | 0.73 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL7633395 | 0.72 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL1158074 | 0.67 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL23273899 | 0.65 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL22208885 | 0.65 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL31070079 | 0.65 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL10276789 | 0.64 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Potassium Ion SCHEMBL28768622 | 0.64 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Water SCHEMBL27450403 | 0.64 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL27388633 | 0.64 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101314608-A | Bidentate organophosphor ligand and uses thereof | EVONIK DEGUSSA AG (DE) | 2008-12-03 | — | — | CN | disclosed |
| US-6573389-B1 | As catalysts for asymmetric reaction or polymerization | DEGUSSA AG (DE) | 2003-06-03 | — | — | US | disclosed |