Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 15/20 | 0.43 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.39 |
| ▸ | DDR2 | Q16832 | 2/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7662103 | 0.87 | MAPT (0.45) | ROCK2CYP3A4 | |
| SCHEMBL7993332 | 0.86 | ROCK2 (0.45) | ROCK2DDR1DDR2CYP3A4 | |
| SCHEMBL7660384 | 0.86 | ROCK2 (0.51) | ROCK2CYP3A4 | |
| SCHEMBL7652728 | 0.85 | L3MBTL3 (0.41) | ROCK2DDR1DDR2L3MBTL3CYP3A4 | |
| SCHEMBL7991313 | 0.85 | L3MBTL3 (0.45) | ROCK2DDR1DDR2L3MBTL3CYP3A4 | |
| SCHEMBL7655775 | 0.85 | ROCK2 (0.46) | ROCK2CYP3A4 | |
| SCHEMBL6805375 | 0.84 | ABL1 (0.40) | ROCK2DDR1DDR2KIT | |
| Hydrochloric Acid SCHEMBL6298340 | 0.84 | ROCK2 (0.56) | ROCK2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6916171 | 0.83 | ABL1 (0.39) | ROCK2DDR1DDR2KIT | |
| SCHEMBL7652898 | 0.83 | KIT (0.49) | DDR1DDR2KIT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | claimed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | claimed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |