Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9307993 | 0.93 | SIGMAR1 (0.49) | SIGMAR1 | |
| SCHEMBL27781945 | 0.74 | SLC18A3 (0.65) | MAOAMAOB | |
| SCHEMBL10263767 | 0.72 | SLC18A3 (0.67) | MAOAMAOB | |
| SCHEMBL5462211 | 0.69 | SLC18A3 (0.58) | — | |
| SCHEMBL12826402 | 0.69 | SLC18A3 (0.53) | SIGMAR1 | |
| SCHEMBL31628898 | 0.68 | ALDH1A1 (0.48) | — | |
| SCHEMBL7386396 | 0.68 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL7621701 | 0.68 | TSHR (0.52) | SIGMAR1CYP2A6MAOAMAOB | |
| SCHEMBL16745554 | 0.68 | HRH3 (0.54) | SIGMAR1 | |
| SCHEMBL19810796 | 0.66 | SLC18A3 (0.54) | SIGMAR1MAOAMAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5254561-A | Tricyclic antipsychotic agents | MERCK SHARP & DOHME LIMITED (GB) | 1993-10-19 | — | — | US | disclosed |
| EP-0463691-A2 | Tricyclic sigma ligands | MERCK SHARP & DOHME LTD. (GB) | 1992-01-02 | — | — | EP | disclosed |