Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6069811 | 0.92 | PARP1 (0.35) | PARP1TNKSTNKS2CHEK1MAP2K1 | |
| SCHEMBL6069563 | 0.86 | DDB1 (0.39) | PARP1TNKSTNKS2CHEK1MAP2K1 | |
| SCHEMBL6137668 | 0.83 | FFAR4 (0.39) | — | |
| SCHEMBL6070036 | 0.79 | FKBP1A (0.35) | PARP1TNKSTNKS2PDE3BPDE3A | |
| SCHEMBL6069805 | 0.79 | HRH3 (0.40) | — | |
| SCHEMBL6137379 | 0.77 | DUT (0.35) | PARP1TNKSTNKS2 | |
| SCHEMBL6137343 | 0.74 | TNKS (0.33) | PARP1TNKSTNKS2 | |
| SCHEMBL6642433 | 0.73 | NOS3 (0.44) | PARP1NOS3NOS1NOS2 | |
| SCHEMBL6645276 | 0.73 | NOS3 (0.44) | NOS3NOS1NOS2 | |
| SCHEMBL6069583 | 0.73 | FFAR1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1129077-B9 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AG (DE) | 2005-07-20 | — | — | EP | disclosed |
| EP-1129077-B1 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AG (DE) | 2005-04-20 | — | — | EP | disclosed |
| US-6579883-B1 | Nitrogen monoxide synthases; 4-amino-8-bromo-3a-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta (c) quinoline; neurodegenerative, autoimmune, cardiovascular diseases | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-06-17 | — | — | US | disclosed |