Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11594479 | 0.92 | DRD2 (0.66) | DRD2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11827796 | 0.90 | DRD2 (0.47) | DRD2SIGMAR1 | |
| SCHEMBL11828275 | 0.86 | SLC6A3 (0.50) | DRD2SIGMAR1 | |
| SCHEMBL11821644 | 0.83 | DRD2 (0.53) | DRD2SIGMAR1HTR2AHTR2CMEN1 | |
| SCHEMBL11826406 | 0.81 | DRD2 (0.55) | DRD2SIGMAR1HTR2AHTR2C | |
| SCHEMBL11821896 | 0.80 | HRH3 (0.43) | DRD2SIGMAR1HTR2AHTR2CMEN1 | |
| SCHEMBL11820579 | 0.80 | DRD2 (0.56) | DRD2CYP2D6SIGMAR1HTR2AHTR2C | |
| SCHEMBL1351856 | 0.79 | DRD2 (0.55) | DRD2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11822536 | 0.78 | DRD2 (0.57) | DRD2SIGMAR1 | |
| SCHEMBL8340748 | 0.78 | DRD3 (0.58) | DRD2SIGMAR1GRIN1GRIN2BHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| US-3980797-A | Hexahydro-diazepino-indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-09-14 | — | — | US | disclosed |