Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 4/20 | 0.39 |
| ▸ | CSF1R | P07333 | 3/20 | 0.39 |
| ▸ | BRAF | P15056 | 9/20 | 0.39 |
| ▸ | EGFR | P00533 | 8/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7650280 | 0.86 | MAPT (0.45) | BRAFCYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL7658810 | 0.84 | NPC1 (0.37) | RAB9ADDR1 | |
| SCHEMBL7652898 | 0.80 | KIT (0.49) | KITCSF1RBRAFEGFRDDR1 | |
| SCHEMBL7654988 | 0.80 | PDE4D (0.41) | BRAFCYP1A2CYP2D6CYP2C19RAB9A | |
| Hydrochloric Acid SCHEMBL7658653 | 0.80 | KIT (0.48) | KITCSF1RBRAFEGFRDDR1 | |
| SCHEMBL7655281 | 0.79 | POLB (0.50) | EGFRCYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL7657674 | 0.78 | MAPT (0.49) | CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL7653419 | 0.77 | LMNA (0.35) | CYP1A2CYP2C19RAB9A | |
| SCHEMBL7653451 | 0.76 | MAPT (0.41) | BRAFCYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL7661169 | 0.76 | POLB (0.35) | CYP1A2CYP2D6CYP2C19 |
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 6 patents. 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 | claimed |
| 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 |