Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 8/20 | 0.65 |
| ▸ | NOS1 | P29475 | 8/20 | 0.65 |
| ▸ | NOS2 | P35228 | 8/20 | 0.65 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6137347 | 0.80 | NOS3 (0.74) | NOS3NOS1NOS2 | |
| SCHEMBL6137342 | 0.77 | NOS3 (0.69) | NOS3NOS1NOS2KDM1ACHRNB4 | |
| SCHEMBL6137760 | 0.76 | NOS3 (0.67) | NOS3NOS1NOS2KDM1A | |
| SCHEMBL6137311 | 0.75 | NOS1 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL6137654 | 0.72 | NOS3 (0.68) | NOS3NOS1NOS2 | |
| SCHEMBL6646955 | 0.69 | NOS1 (1.00) | NOS3NOS1NOS2HSP90AA1 | |
| SCHEMBL6137403 | 0.65 | NOS3 (1.00) | NOS3NOS1NOS2KDM1A | |
| SCHEMBL10420906 | 0.64 | NOS3 (0.49) | NOS3NOS1NOS2HSP90AA1ALDH1A1 | |
| SCHEMBL3475099 | 0.63 | HSP90AA1 (0.67) | NOS3NOS1NOS2HSP90AA1ALDH1A1 | |
| SCHEMBL12658840 | 0.63 | HSP90AA1 (0.62) | NOS3NOS1NOS2HSP90AA1ALDH1A1 |
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 |