Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11824725 | 0.86 | DRD2 (0.57) | SIGMAR1DRD2 | |
| SCHEMBL11826406 | 0.84 | DRD2 (0.55) | SIGMAR1DRD2 | |
| SCHEMBL11822536 | 0.82 | DRD2 (0.57) | SIGMAR1DRD2 | |
| SCHEMBL11821644 | 0.81 | DRD2 (0.53) | SIGMAR1DRD2 | |
| SCHEMBL11821412 | 0.81 | DRD2 (0.57) | SIGMAR1DRD2 | |
| SCHEMBL16198123 | 0.80 | SIGMAR1 (0.56) | SIGMAR1DRD2 | |
| SCHEMBL11831827 | 0.80 | DRD2 (0.56) | SIGMAR1DRD2 | |
| SCHEMBL11820429 | 0.79 | SIGMAR1 (0.49) | SIGMAR1DRD2 | |
| SCHEMBL11828022 | 0.79 | SIGMAR1 (0.57) | SLC6A3SIGMAR1DRD2 | |
| SCHEMBL11594479 | 0.78 | DRD2 (0.66) | SIGMAR1DRD2 |
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 |