Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 10/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.44 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7654827 | 0.99 | BRAF (0.45) | BRAFMAPTKDM4EMEN1CYP2D6 | |
| SCHEMBL7989876 | 0.90 | MAPT (0.47) | BRAFMAPTKDM4EMEN1CYP2D6 | |
| SCHEMBL6299432 | 0.85 | ABCB1 (0.57) | BRAFMAPTTP53THRBSMN1; SMN2 | |
| SCHEMBL7652847 | 0.83 | ROCK2 (0.46) | BRAFMAPTKDM4EMEN1CYP2D6 | |
| SCHEMBL7653791 | 0.82 | MAPT (0.45) | BRAFMAPTKDM4EMEN1CYP2D6 | |
| SCHEMBL7652080 | 0.82 | DDR1 (0.43) | BRAFMAPTKDM4EMEN1CYP2D6 | |
| Hydrochloric Acid SCHEMBL7657621 | 0.81 | DDR1 (0.42) | BRAFMAPTKDM4EMEN1CYP2D6 | |
| SCHEMBL7660601 | 0.81 | MAPT (0.44) | MAPTMEN1KMT2ATP53SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7653098 | 0.80 | MAPT (0.43) | MAPTMEN1KMT2ATP53SMN1; SMN2 | |
| SCHEMBL7979562 | 0.80 | MAPT (0.50) | BRAFMAPTKDM4EMEN1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |