Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 1.00 |
| ▸ | TYMS | P04818 | 10/20 | 0.55 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.54 |
| ▸ | TNKS | O95271 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.47 |
| ▸ | RAF1 | P04049 | 1/20 | 0.47 |
| ▸ | BRAF | P15056 | 1/20 | 0.47 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.47 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.47 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.47 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29964360 | 1.00 | PARP1 (1.00) | PARP1TYMSTNKS2TNKSADORA3 | |
| SCHEMBL30838794 | 0.82 | PARP1 (1.00) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL9259148 | 0.82 | PARP1 (1.00) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL578200 | 0.79 | PARP1 (0.66) | PARP1TYMSTNKS2TNKSMMP13 | |
| SCHEMBL15840736 | 0.79 | PARP1 (0.66) | PARP1TYMSTNKS2TNKSADORA3 | |
| SCHEMBL30704850 | 0.79 | PARP1 (1.00) | PARP1TYMSTNKS2TNKSBMPR1B | |
| SCHEMBL328456 | 0.79 | PARP1 (0.70) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL12169915 | 0.79 | PARP1 (1.00) | PARP1TYMSTNKS2TNKSBMPR1B | |
| SCHEMBL30395697 | 0.79 | PARP1 (0.66) | PARP1TYMSTNKS2TNKSNPC1 | |
| SCHEMBL29442253 | 0.79 | PARP1 (0.70) | PARP1TYMSTNKS2BMPR1BRAF1 |
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 6 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 |
| US-8183276-B2 | Therapeutic agents | MERCK SHARP & DOHME CORP. | 2012-05-22 | — | — | US | disclosed |
| CN-1918128-B | fused ring 4-oxo-pyrimidine derivatives | BANYU PHARMA CO LTD | 2011-01-26 | — | — | CN | disclosed |
| WO-2010088061-A1 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |
| CN-1918128-A | Fused ring 4-oxo-pyrimidine derivatives | BANYU PHARMA CO LTD (JP) | 2007-02-21 | — | — | CN | disclosed |