Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11821644 | 0.85 | DRD2 (0.53) | DRD2SIGMAR1HTR2AHTR2C | |
| SCHEMBL11826406 | 0.82 | DRD2 (0.55) | DRD2SIGMAR1HTR2AHTR2C | |
| SCHEMBL11822536 | 0.80 | DRD2 (0.57) | DRD2SIGMAR1 | |
| SCHEMBL11824725 | 0.80 | DRD2 (0.57) | DRD2SIGMAR1HTR2AHTR2CCYP2D6 | |
| SCHEMBL11821144 | 0.79 | SIGMAR1 (0.48) | SIGMAR1HTR2AHTR2CMTNR1AMTNR1B | |
| SCHEMBL11821412 | 0.79 | DRD2 (0.57) | DRD2SIGMAR1CYP2D6 | |
| SCHEMBL11822358 | 0.79 | SIGMAR1 (0.51) | DRD2SIGMAR1HTR2AHTR2C | |
| SCHEMBL11821896 | 0.78 | HRH3 (0.43) | DRD2SIGMAR1HTR2AHTR2C | |
| SCHEMBL11827796 | 0.78 | DRD2 (0.47) | DRD2SIGMAR1POLB | |
| SCHEMBL11831827 | 0.78 | DRD2 (0.56) | DRD2SIGMAR1CYP2D6 |
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 |