Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 15/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 15/20 | 0.45 |
| ▸ | ERBB3 | P21860 | 15/20 | 0.45 |
| ▸ | ERBB4 | Q15303 | 15/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.40 |
| ▸ | SOD1 | P00441 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28037919 | 0.74 | GSK3A (0.59) | DYRK1AEGFRERBB2SOD1GSK3A | |
| SCHEMBL4544706 | 0.73 | EGFR (0.60) | DYRK1AEGFRERBB2ERBB3ERBB4 | |
| SCHEMBL18963653 | 0.72 | DYRK1A (0.53) | DYRK1AEGFRERBB2ERBB3ERBB4 | |
| SCHEMBL7116861 | 0.72 | FADS1 (0.52) | EGFRIRAK4BRAFTNNI3KSOD1 | |
| SCHEMBL4740956 | 0.70 | EGFR (0.68) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL4544688 | 0.68 | TTBK1 (0.64) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL16432121 | 0.66 | EGFR (0.71) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL8223 | 0.65 | DYRK1A (1.00) | DYRK1AEGFRERBB2ERBB3ERBB4 | |
| SCHEMBL32425027 | 0.65 | DYRK1A (1.00) | DYRK1AEGFRERBB2ERBB3ERBB4 | |
| SCHEMBL4544686 | 0.64 | LMNA (0.61) | EGFR |
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-8524720-B2 | Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-03 | — | — | US | disclosed |