Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | METAP1 | P53582 | 2/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 3/20 | 0.40 |
| ▸ | DAO | P14920 | 2/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 2/20 | 0.38 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.37 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | PDE6D | O43924 | 1/20 | 0.37 |
| ▸ | PDE8A | O60658 | 1/20 | 0.37 |
| ▸ | PDE9A | O76083 | 1/20 | 0.37 |
| ▸ | PDE8B | O95263 | 1/20 | 0.37 |
| ▸ | PDE6A | P16499 | 1/20 | 0.37 |
| ▸ | PDE6G | P18545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2165024 | 0.72 | AURKA (0.42) | NUDT1PARP1AURKADAOFGFR1 | |
| SCHEMBL386239 | 0.71 | PLAUR (0.44) | NUDT1AURKAFGFR1KDM4E | |
| SCHEMBL927587 | 0.69 | NUDT1 (0.48) | NUDT1PARP1METAP1METAP2AURKA | |
| SCHEMBL1624786 | 0.69 | NUDT1 (0.48) | NUDT1PARP1METAP1METAP2AURKA | |
| SCHEMBL939186 | 0.69 | NUDT1 (0.53) | NUDT1PARP1METAP1METAP2AURKA | |
| SCHEMBL9581 | 0.68 | — | — | |
| SCHEMBL14974362 | 0.68 | KDM4E (0.47) | PARP1KDM4E | |
| Bromide SCHEMBL28646392 | 0.68 | NUDT1 (0.47) | NUDT1PARP1METAP1METAP2AURKA | |
| SCHEMBL323981 | 0.67 | NUDT1 (0.60) | NUDT1METAP1METAP2AURKAFGFR1 | |
| SCHEMBL1170747 | 0.66 | METAP1 (0.72) | NUDT1METAP1METAP2AURKAFGFR1 |
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-6200976-B1 | FOR TREATING THROMBOSIS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-03-13 | — | — | US | disclosed |