Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.56 |
| ▸ | NOS1 | P29475 | 2/20 | 0.56 |
| ▸ | NOS2 | P35228 | 2/20 | 0.56 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | RAD52 | P43351 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28935704 | 0.82 | NOS1 (0.64) | NOS3NOS1NOS2DRD2DRD1 | |
| Hydrochloric Acid SCHEMBL7399837 | 0.78 | DRD2 (0.47) | DRD2KCNH2DRD1HRH3LMNA | |
| SCHEMBL2079889 | 0.73 | DRD2 (0.44) | DRD2KCNH2DRD1HRH3CYP3A4 | |
| SCHEMBL23561007 | 0.73 | NOS3 (0.91) | NOS3NOS1NOS2HSD17B10GAA | |
| SCHEMBL29565616 | 0.73 | NOS3 (1.00) | NOS3NOS1NOS2TSHRHSD17B10 | |
| SCHEMBL559643 | 0.73 | NOS3 (1.00) | NOS3NOS1NOS2TSHRHSD17B10 | |
| SCHEMBL1806713 | 0.71 | DRD2 (0.54) | DRD2KCNH2DRD1HRH3GAA | |
| SCHEMBL3761749 | 0.69 | CYP3A4 (0.53) | DRD2KCNH2HRH3CYP3A4TSHR | |
| SCHEMBL21698778 | 0.69 | MAPT (0.57) | NOS3NOS1NOS2LMNAGAA | |
| SCHEMBL21795767 | 0.68 | OGA (0.54) | HRH3GAARAD52KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997048702-A1 | BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1997-12-24 | — | — | WO | disclosed |