Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.56 |
| ▸ | NOS1 | P29475 | 1/20 | 0.56 |
| ▸ | NOS2 | P35228 | 1/20 | 0.56 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.36 |
| ▸ | CHRNG | P07510 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRND | Q07001 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 3/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL6645425 | 0.72 | NOS1 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL6646269 | 0.69 | NOS1 (0.79) | NOS3NOS1NOS2 | |
| SCHEMBL6640561 | 0.66 | NOS3 (0.48) | NOS3NOS1NOS2PTGDR2CHRNA1 | |
| SCHEMBL6641768 | 0.66 | GSK3B (0.48) | NOS3NOS1NOS2PTGDR2CHRNA1 | |
| SCHEMBL1081422 | 0.65 | NOS3 (0.46) | NOS3NOS1NOS2PTGDR2CHRNA1 | |
| SCHEMBL16905238 | 0.65 | CHRNA1 (0.59) | NOS3NOS1NOS2PTGDR2CHRNA1 | |
| SCHEMBL23204992 | 0.65 | KDM1A (0.38) | NOS3NOS1NOS2KDM1ADRD2 | |
| Hydrochloric Acid SCHEMBL7975433 | 0.64 | NOS3 (0.45) | NOS3NOS1NOS2PTGDR2CHRNA1 | |
| SCHEMBL24791025 | 0.62 | CHRNA1 (0.50) | NOS3NOS1NOS2CHRNA1CHRNG | |
| SCHEMBL19207348 | 0.62 | CHRNA1 (0.50) | NOS3NOS1NOS2CHRNA1CHRNG |
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-1054869-B1 | 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS | SCHERING AG (DE) | 2004-09-22 | — | — | EP | disclosed |