Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | USP7 | Q93009 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7487017 | 0.72 | PGR (0.39) | CYP1A2CYP3A4HSD17B10ALDH1A1HPGD | |
| SCHEMBL15655702 | 0.66 | MEN1 (0.49) | CYP1A2CYP3A4HSD17B10ALDH1A1HPGD | |
| SCHEMBL6608219 | 0.66 | CYP3A4 (0.44) | CYP1A2CYP3A4HSD17B10ALDH1A1HPGD | |
| SCHEMBL10626283 | 0.65 | ALDH1A1 (0.64) | CYP1A2CYP3A4HSD17B10ALDH1A1HPGD | |
| SCHEMBL23501957 | 0.63 | USP7 (0.47) | CYP1A2CYP3A4HSD17B10ALDH1A1HPGD | |
| SCHEMBL10795881 | 0.63 | HDAC4 (0.54) | ALDH1A1HPGDPDK2SMN1; SMN2HDAC4 | |
| SCHEMBL16016477 | 0.63 | L3MBTL1 (0.53) | CYP3A4ALDH1A1HPGDMAPTPDK2 | |
| SCHEMBL2184360 | 0.63 | ALDH1A1 (0.44) | CYP1A2CYP3A4HSD17B10ALDH1A1HPGD | |
| SCHEMBL1004649 | 0.62 | ALDH1A1 (0.73) | CYP1A2CYP3A4HSD17B10ALDH1A1HPGD | |
| SCHEMBL5318807 | 0.62 | ALDH1A1 (0.52) | CYP1A2CYP3A4HSD17B10ALDH1A1HPGD |
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-2008020203-A1 | PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | disclosed |