Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 11/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | BLVRB | P30043 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7653964 | 0.88 | GAA (0.39) | ROCK2GAAMEN1KMT2AMAPT | |
| Hydrochloric Acid SCHEMBL7661203 | 0.87 | GAA (0.39) | ROCK2GAAMEN1KMT2AMAPT | |
| SCHEMBL7662414 | 0.87 | ROCK2 (0.37) | ROCK2GAAMAPTSMN1; SMN2HTT | |
| SCHEMBL6295077 | 0.84 | ROCK2 (0.58) | ROCK2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6299497 | 0.83 | ROCK2 (0.57) | ROCK2CYP3A4 | |
| SCHEMBL7993332 | 0.83 | ROCK2 (0.45) | ROCK2MEN1KMT2ACYP26A1PGR | |
| SCHEMBL7656532 | 0.81 | ROCK2 (0.43) | ROCK2 | |
| SCHEMBL7659848 | 0.79 | ROCK2 (0.39) | ROCK2GAAMEN1KMT2ACYP3A4 | |
| SCHEMBL7656812 | 0.78 | CYP26A1 (0.38) | ROCK2GAAMEN1KMT2ACYP26A1 | |
| SCHEMBL7654464 | 0.78 | ROCK2 (0.41) | ROCK2MEN1KMT2AMAPTSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |