Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.59 |
| ▸ | NOS1 | P29475 | 6/20 | 0.59 |
| ▸ | NOS2 | P35228 | 6/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.32 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.32 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.32 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.31 |
| ▸ | TDP2 | O95551 | 2/20 | 0.31 |
| ▸ | HRH1 | P35367 | 2/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6137654 | 0.77 | NOS3 (0.68) | NOS3NOS1NOS2HTR2C | |
| SCHEMBL6137615 | 0.77 | NOS3 (0.68) | NOS3NOS1NOS2HTR2C | |
| SCHEMBL6137311 | 0.75 | NOS1 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL6137677 | 0.74 | TDP2 (0.39) | NOS3NOS1NOS2SRD5A1TDP2 | |
| SCHEMBL6137612 | 0.73 | NOS3 (0.63) | NOS3NOS1NOS2 | |
| SCHEMBL6643306 | 0.72 | NOS1 (0.56) | NOS3NOS1NOS2 | |
| SCHEMBL6137722 | 0.70 | NOS3 (0.74) | NOS3NOS1NOS2 | |
| SCHEMBL6137347 | 0.70 | NOS3 (0.74) | NOS3NOS1NOS2 | |
| SCHEMBL6137334 | 0.69 | NOS3 (0.72) | NOS3NOS1NOS2BACE1 | |
| SCHEMBL6137320 | 0.69 | NOS3 (1.00) | NOS3NOS1NOS2 |
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 |