Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.56 |
| ▸ | DRD1 | P21728 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8203911 | 0.82 | DRD2 (0.75) | ALDH1A1DRD2DRD1KDM4EHSD17B10 | |
| SCHEMBL8204367 | 0.81 | DRD1 (0.55) | ALDH1A1DRD2DRD1KDM4EHSD17B10 | |
| SCHEMBL8994839 | 0.80 | DRD2 (0.67) | ALDH1A1DRD2DRD1KDM4EHSD17B10 | |
| SCHEMBL8202569 | 0.78 | DRD1 (0.64) | ALDH1A1DRD2DRD1KDM4EHSD17B10 | |
| SCHEMBL29623704 | 0.78 | DRD2 (0.90) | ALDH1A1DRD2DRD1HSD17B10CYP2D6 | |
| SCHEMBL8204163 | 0.78 | DRD2 (0.64) | ALDH1A1DRD2DRD1KDM4EHSD17B10 | |
| SCHEMBL8204496 | 0.78 | DRD2 (0.77) | ALDH1A1DRD2DRD1HSD17B10CYP2D6 | |
| SCHEMBL8203933 | 0.78 | DRD2 (0.74) | ALDH1A1DRD2DRD1KDM4EHSD17B10 | |
| SCHEMBL8203868 | 0.77 | DRD2 (0.76) | ALDH1A1DRD2DRD1HSD17B10CYP2D6 | |
| SCHEMBL8204046 | 0.76 | ALDH1A1 (0.52) | ALDH1A1DRD2DRD1KDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0736024-A1 | N-HETEROBICYCLYL-PIPERAZINYL OR-PIPERADINYL TRICYCLIC DERIVATIVES USEFUL AS DOPAMINE RECEPTOR LIGANDS | Allelix Biopharmaceuticals Inc. (CA) | 1996-10-09 | — | — | EP | disclosed |
| WO-1995017400-A1 | N-HETEROBICYCLYL-PIPERAZINYL OR-PIPERADINYL TRICYCLIC DERIVATIVES USEFUL AS DOPAMINE RECEPTOR LIGANDS | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1995-06-29 | — | — | WO | disclosed |