Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7972399 | 0.86 | CYP3A4 (0.48) | CYP17A1CYP4A11CA1GLSHDAC1 | |
| SCHEMBL6404856 | 0.85 | CYP17A1 (0.56) | TDP1CYP17A1CYP4A11NR1H2PPARA | |
| SCHEMBL6627242 | 0.84 | CYP17A1 (0.47) | TDP1TOP2ATOP2BCYP17A1DRD2 | |
| SCHEMBL1025927 | 0.81 | CYP17A1 (0.40) | TDP1TOP2ATOP2BCYP17A1DRD2 | |
| SCHEMBL6691001 | 0.81 | CYP4F2 (0.51) | TDP1CYP17A1CYP4A11GLSHDAC1 | |
| SCHEMBL15858093 | 0.81 | CYP17A1 (0.47) | TDP1TOP2ATOP2BCYP17A1DRD2 | |
| SCHEMBL1314199 | 0.81 | CYP17A1 (0.54) | TDP1CYP17A1CYP4A11PPARADRD2 | |
| SCHEMBL4752155 | 0.79 | TOP2A (0.46) | TOP2ATOP2BCYP17A1PPARADRD2 | |
| SCHEMBL23274043 | 0.79 | HPGD (0.36) | TDP1TOP2ATOP2BCYP17A1DRD2 | |
| SCHEMBL13623152 | 0.77 | CYP3A4 (0.50) | CYP17A1CYP4A11GLSHDAC1HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008153286-A2 | AROMATIC DIAMINES WITH A PHOTOREACTIVE AROMATIC SIDE GROUP, POLYAMIC ACID PHOTO-ALIGNMENT LAYERS WITH THEM AND METHOD FOR PREPARING LIQUID CRYSTAL CELLS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2008-12-18 | — | — | WO | disclosed |