Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 5/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | GLA | P06280 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | CASP1 | P29466 | 2/20 | 0.53 |
| ▸ | CASP7 | P55210 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 4/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.53 |
| ▸ | DRD4 | P21917 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6130887 | 0.87 | DRD2 (0.53) | DRD1CYP3A4KDM4EHSD17B10CYP2C19 | |
| SCHEMBL7911741 | 0.84 | MAOA (0.58) | DRD1KDM4EHSD17B10CYP2D6ALDH1A1 | |
| SCHEMBL30799251 | 0.84 | MAOA (0.58) | DRD1KDM4EHSD17B10CYP2D6ALDH1A1 | |
| SCHEMBL4412560 | 0.84 | MAOA (0.58) | DRD1KDM4EHSD17B10CYP2D6ALDH1A1 | |
| SCHEMBL4415052 | 0.84 | MAOA (0.58) | DRD1KDM4EHSD17B10CYP2D6ALDH1A1 | |
| SCHEMBL6130839 | 0.81 | KDM4E (0.60) | DRD1CYP3A4KDM4EHSD17B10CYP2C19 | |
| SCHEMBL10325342 | 0.80 | MAOA (0.50) | DRD1KDM4EHSD17B10CYP2D6ALDH1A1 | |
| SCHEMBL10325499 | 0.80 | MAOA (0.50) | DRD1KDM4EHSD17B10CYP2D6ALDH1A1 | |
| SCHEMBL10325455 | 0.80 | MAOA (0.50) | DRD1KDM4EHSD17B10CYP2D6ALDH1A1 | |
| SCHEMBL4673775 | 0.78 | DRD1 (0.52) | DRD1DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0971898-B1 | SUBSTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS | AVERA PHARMACEUTICALS INC (US) | 2005-05-11 | — | — | EP | disclosed |
| EP-1526130-A1 | Substituted isoquinolines as ultra short acting neuromuscular blockers | Avera Pharmaceuticals, Inc. (US) | 2005-04-27 | — | — | EP | disclosed |
| US-6177445-B1 | MUSCLE RELAXANTS | GLAXO WELLCOME INC. | 2001-01-23 | — | — | US | disclosed |