Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.54 |
| ▸ | TYMS | P04818 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 5/20 | 0.43 |
| ▸ | CCND1 | P24385 | 5/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16306345 | 0.87 | PARP1 (0.54) | PARP1TYMSHTTCDK4CCND1 | |
| SCHEMBL16306349 | 0.86 | PARP1 (0.60) | PARP1TYMSHTTCDK4CCND1 | |
| SCHEMBL331566 | 0.86 | PARP1 (0.60) | PARP1TYMSPIM1PIM2TNKS | |
| SCHEMBL19992075 | 0.77 | PARP1 (0.57) | PARP1TYMSCDK4CCND1PIM1 | |
| SCHEMBL19992061 | 0.74 | PARP1 (0.62) | PARP1TYMSTNKS2 | |
| SCHEMBL19992074 | 0.74 | PARP1 (0.62) | PARP1TYMSCDK4CCND1TNKS2 | |
| SCHEMBL19992073 | 0.71 | PARP1 (0.62) | PARP1TYMSCDK4CCND1TNKS2 | |
| SCHEMBL19992101 | 0.70 | PARP1 (0.66) | PARP1TYMSTNKS2 | |
| SCHEMBL12169915 | 0.70 | PARP1 (1.00) | PARP1TYMSCDK4CCND1TNKS | |
| SCHEMBL15840736 | 0.70 | PARP1 (0.66) | PARP1TYMSTNKSTNKS2 |
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 |
| WO-2014201409-A1 | PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2014-12-18 | — | — | WO | disclosed |