Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 16/20 | 0.98 |
| ▸ | NOS3 | P29474 | 14/20 | 0.98 |
| ▸ | NOS2 | P35228 | 13/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6069276 | 0.99 | NOS1 (1.00) | NOS1NOS3NOS2CYP1A2CYP3A4 | |
| SCHEMBL6561433 | 0.92 | NOS1 (0.98) | NOS1NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL6069807 | 0.91 | NOS1 (1.00) | NOS1NOS3NOS2 | |
| SCHEMBL6561364 | 0.87 | NOS3 (0.98) | NOS1NOS3NOS2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6069439 | 0.86 | NOS3 (1.00) | NOS1NOS3NOS2CYP1A2CYP3A4 | |
| SCHEMBL6561322 | 0.78 | NOS1 (0.69) | NOS1NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL6069274 | 0.78 | NOS1 (0.71) | NOS1NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL6069928 | 0.77 | NOS3 (0.69) | NOS1NOS3NOS2 | |
| SCHEMBL6560391 | 0.76 | NOS1 (0.66) | NOS1NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL6069891 | 0.75 | NOS1 (0.67) | NOS1NOS3NOS2 |
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-1115708-B1 | AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS | SCHERING AG (DE) | 2004-04-14 | — | — | EP | claimed |