Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 8/20 | 0.53 |
| ▸ | NOS3 | P29474 | 7/20 | 0.53 |
| ▸ | NOS1 | P29475 | 7/20 | 0.53 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.40 |
| ▸ | CDK9 | P50750 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6069708 | 0.76 | NTRK1 (0.41) | NOS2NOS3NOS1CCNT1CDK9 | |
| Hydrochloric Acid SCHEMBL6069850 | 0.73 | NOS3 (0.52) | NOS2NOS3NOS1MAOBHTR6 | |
| SCHEMBL6069550 | 0.71 | NOS3 (0.39) | NOS2NOS3NOS1 | |
| SCHEMBL6561433 | 0.70 | NOS1 (0.98) | NOS2NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL6069807 | 0.70 | NOS1 (1.00) | NOS2NOS3NOS1 | |
| SCHEMBL6561322 | 0.68 | NOS1 (0.69) | NOS2NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL6069274 | 0.67 | NOS1 (0.71) | NOS2NOS3NOS1 | |
| SCHEMBL6561325 | 0.67 | NOS1 (0.98) | NOS2NOS3NOS1 | |
| SCHEMBL6700054 | 0.66 | CHRM2 (0.55) | MAOBHTR6APP | |
| SCHEMBL632217 | 0.66 | CHRM2 (0.55) | MAOBHTR6APPMAPK1 |
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 |