Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL7386938 | 1.00 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL21480154 | 0.88 | ALDH1A1 (0.43) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL21480155 | 0.88 | ALDH1A1 (0.43) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL19779412 | 0.88 | ALDH1A1 (0.43) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL5654095 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5465323 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20895733 | 0.79 | CYP1A2 (0.42) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL16054301 | 0.79 | CYP1A2 (0.42) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL8570353 | 0.79 | CYP1A2 (0.42) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2 | |
| SCHEMBL8388967 | 0.77 | FUCA1 (0.44) | ALDH1A1FUCA1ACHE |
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 4 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 |
| EP-0626947-A1 | HYDROISOINDOLINES AND HYDROISOQUINOLINES AS PSYCHOTROPIC DRUGS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-12-07 | — | — | EP | 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 |