Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.39 |
| ▸ | NOS1 | P29475 | 3/20 | 0.39 |
| ▸ | NOS2 | P35228 | 3/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.33 |
| ▸ | RXRA | P19793 | 3/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.33 |
| ▸ | FPR3 | P25089 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6137714 | 0.91 | NOS3 (0.40) | NOS3NOS1NOS2S1PR1VSIR | |
| SCHEMBL7171051 | 0.91 | NOS3 (0.39) | NOS3NOS1NOS2S1PR1VSIR | |
| SCHEMBL7181785 | 0.82 | NOS3 (0.40) | NOS3NOS1NOS2S1PR1HRH3 | |
| SCHEMBL6137525 | 0.74 | NOS3 (0.41) | NOS3NOS1NOS2BRD4 | |
| SCHEMBL7171088 | 0.70 | HTT (0.37) | NOS3NOS1NOS2TDP1 | |
| SCHEMBL14205020 | 0.66 | KMT2A (0.46) | S1PR1MAPTTDP1 | |
| SCHEMBL8139519 | 0.65 | TPSAB1 (0.45) | S1PR1VSIRNR1H2MAPTTDP1 | |
| SCHEMBL9268923 | 0.65 | VSIR (0.39) | S1PR1VSIRFPR3FPR2BRD4 | |
| SCHEMBL16355777 | 0.64 | SLC7A5 (0.44) | VSIRCCNT1 | |
| SCHEMBL3108955 | 0.64 | NR1H4 (0.53) | S1PR1VSIRRXRAAVPR2 |
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 4 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 |
| EP-1129077-A1 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000029381-A1 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-05-25 | — | — | WO | disclosed |