Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 20/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7379985 | 1.00 | SIGMAR1 (0.63) | SIGMAR1CYP1A2CYP2D6TMEM97 | |
| SCHEMBL24008735 | 0.78 | SIGMAR1 (0.63) | SIGMAR1CYP1A2CYP2D6TMEM97 | |
| SCHEMBL30323233 | 0.78 | SIGMAR1 (0.63) | SIGMAR1CYP1A2CYP2D6TMEM97 | |
| SCHEMBL7385263 | 0.76 | MAOA (0.53) | — | |
| SCHEMBL7385271 | 0.76 | MAOA (0.53) | — | |
| SCHEMBL7377219 | 0.76 | SIGMAR1 (0.39) | SIGMAR1 | |
| SCHEMBL7377224 | 0.76 | SIGMAR1 (0.39) | SIGMAR1 | |
| SCHEMBL7383124 | 0.75 | SLC6A3 (0.53) | SIGMAR1 | |
| SCHEMBL7383126 | 0.75 | SLC6A3 (0.53) | SIGMAR1 | |
| SCHEMBL5804316 | 0.73 | SIGMAR1 (0.93) | SIGMAR1CYP1A2CYP2D6TMEM97 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5409929-A | Treating psychosis, dyskinesia | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-25 | — | — | US | disclosed |
| WO-1993016047-A1 | HYDROISOINDOLINES AND HYDROISOQUINOLINES AS PSYCHOTROPIC DRUGS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-08-19 | — | — | WO | disclosed |
| US-5216018-A | Antidyskinetic agents | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-06-01 | — | — | US | disclosed |