Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4004840 | 0.98 | TDP1 (0.50) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL29635182 | 0.98 | TDP1 (0.50) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL32685426 | 0.95 | TDP1 (0.48) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| Bromide SCHEMBL6675138 | 0.93 | TDP1 (0.46) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL28333146 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL28427105 | 0.89 | TDP1 (0.46) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL28152680 | 0.89 | TDP1 (0.46) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL1120987 | 0.85 | CYP3A4 (0.58) | TDP1CYP3A4ESR1ESR2DRD1 | |
| SCHEMBL6292080 | 0.85 | ALDH1A1 (0.46) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL28152682 | 0.85 | TDP1 (0.42) | TDP1CYP3A4ALDH1A1HSD17B10HPGD |
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-0731105-B1 | Optically active tertiary phosphine compounds, transition metal complexes comprising the same as ligands and process for preparing optically active organic silicon compounds using said transition metal complexes | SUMITOMO CHEMICAL CO (JP) | 2001-12-05 | — | — | EP | disclosed |
| US-5621129-A | Optically active tertiary phosphine compound, transition metal complex comprising the same as ligand and process for preparing optically active organic silicon compound using said transition metal complex | SUMITOMO CHEMICAL CO., LTD. (JP) | 1997-04-15 | — | — | US | disclosed |
| EP-0731105-A1 | Optically active tertiary phosphine compounds, transition metal complexes comprising the same as ligands and process for preparing optically active organic silicon compounds using said transition metal complexes | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-09-11 | — | — | EP | disclosed |