Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6299445 | 0.94 | ROCK2 (0.56) | ROCK2CYP3A4TP53MAPTALOX15 | |
| SCHEMBL8113427 | 0.94 | MAPT (0.54) | ROCK2CYP3A4TP53MAPTALOX15 | |
| Hydrochloric Acid SCHEMBL6293630 | 0.93 | ROCK2 (0.57) | ROCK2CYP3A4S1PR1 | |
| SCHEMBL6299426 | 0.87 | ROCK2 (0.54) | ROCK2CYP3A4 | |
| SCHEMBL7662103 | 0.84 | MAPT (0.45) | ROCK2CYP3A4TP53MAPTALOX15 | |
| SCHEMBL6294963 | 0.84 | ROCK2 (0.64) | ROCK2CYP3A4 | |
| SCHEMBL6295077 | 0.83 | ROCK2 (0.58) | ROCK2CYP3A4 | |
| SCHEMBL7945140 | 0.83 | MAPT (0.46) | ROCK2CYP3A4S1PR1TP53MAPT | |
| Hydrochloric Acid SCHEMBL8128722 | 0.82 | MAPT (0.45) | ROCK2CYP3A4S1PR1TP53MAPT | |
| Hydrochloric Acid SCHEMBL6299497 | 0.82 | ROCK2 (0.57) | ROCK2CYP3A4 |
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-0968190-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-01-05 | — | — | EP | claimed |
| WO-1998041508-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1998-09-24 | — | — | WO | claimed |