Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 9/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | PDE5A | O76074 | 7/20 | 0.55 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.54 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.54 |
| ▸ | KDM1A | O60341 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | GSK3A | P49840 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7123370 | 0.91 | ABCG2 (0.60) | ABCG2MEN1KMT2APDE5ATGFBR1 | |
| SCHEMBL7155962 | 0.86 | ABCG2 (0.59) | ABCG2MEN1KMT2APDE5ATGFBR1 | |
| SCHEMBL1798811 | 0.81 | PDE5A (0.54) | ABCG2MEN1KMT2APDE5ATGFBR1 | |
| SCHEMBL7234183 | 0.77 | MEN1 (0.51) | ABCG2MEN1KMT2APDE5ATGFBR1 | |
| SCHEMBL4856833 | 0.73 | PDE5A (0.64) | MEN1KMT2APDE5ALMNATP53 | |
| SCHEMBL7124846 | 0.73 | NPY5R (0.57) | KDM1ATP53SMN1; SMN2 | |
| SCHEMBL1063103 | 0.73 | ABCG2 (1.00) | ABCG2MEN1KMT2APDE5ATGFBR1 | |
| SCHEMBL14474836 | 0.72 | ABCG2 (0.62) | ABCG2MEN1KMT2ALMNAMAPT | |
| SCHEMBL1063009 | 0.72 | ABCG2 (0.69) | ABCG2MEN1KMT2APDE5ATGFBR1 | |
| SCHEMBL5675207 | 0.71 | ABCG2 (0.61) | ABCG2MEN1KMT2AGSK3AGSK3B |
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 |
|---|---|---|---|---|---|---|---|
| US-20040116454-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2004-06-17 | — | — | US | disclosed |