Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.66 |
| ▸ | TYMS | P04818 | 11/20 | 0.61 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.50 |
| ▸ | RAF1 | P04049 | 1/20 | 0.50 |
| ▸ | BRAF | P15056 | 1/20 | 0.50 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.50 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.50 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.50 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19992101 | 0.86 | PARP1 (0.66) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL19992074 | 0.83 | PARP1 (0.62) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL9518147 | 0.82 | PARP1 (0.64) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL12169915 | 0.79 | PARP1 (1.00) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL30704850 | 0.79 | PARP1 (1.00) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL16306348 | 0.79 | PARP1 (0.61) | PARP1TYMSALDH1A1TNKS2 | |
| SCHEMBL15840744 | 0.79 | PARP1 (0.66) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL24879353 | 0.77 | PARP1 (0.58) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL19992061 | 0.77 | PARP1 (0.62) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL23229338 | 0.77 | PARP1 (0.58) | PARP1TYMSBMPR1BRAF1BRAF |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2935246-B1 | ISOQUINOLINONE OR QUINAZOLINONE PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD CALISTOGA LLC (US) | 2018-07-25 | — | — | EP | disclosed |
| EP-3008053-B1 | PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD CALISTOGA LLC (US) | 2018-03-21 | — | — | EP | disclosed |