Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.64 |
| ▸ | TYMS | P04818 | 10/20 | 0.51 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.44 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9259148 | 0.78 | PARP1 (1.00) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL30838794 | 0.78 | PARP1 (1.00) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL21263268 | 0.77 | PARP1 (0.41) | PARP1TNKS2GAAKDM4ENPC1 | |
| SCHEMBL29964360 | 0.76 | PARP1 (1.00) | PARP1TYMSTNKS2MMP13BMPR1B | |
| SCHEMBL29442253 | 0.76 | PARP1 (0.70) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL328456 | 0.76 | PARP1 (0.70) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL30704850 | 0.76 | PARP1 (1.00) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL2659299 | 0.76 | PARP1 (1.00) | PARP1TYMSTNKS2MMP13BMPR1B | |
| SCHEMBL12169915 | 0.76 | PARP1 (1.00) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL20404208 | 0.75 | PARP1 (0.64) | PARP1TYMSTNKS2GAAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3008053-B1 | PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD CALISTOGA LLC (US) | 2018-03-21 | — | — | EP | disclosed |