Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 3/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | WEE1 | P30291 | 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 | |
|---|---|---|---|---|
| SCHEMBL7989876 | 0.87 | MAPT (0.47) | RAB9AKMT2ANPC1MEN1MAPT | |
| SCHEMBL7792074 | 0.85 | ROCK2 (0.51) | RAB9AKMT2ANPC1MEN1MAPT | |
| SCHEMBL7649912 | 0.81 | MAPT (0.43) | RAB9AKMT2ANPC1MEN1MAPT | |
| SCHEMBL7652080 | 0.80 | DDR1 (0.43) | RAB9AKMT2ANPC1MEN1MAPT | |
| Hydrochloric Acid SCHEMBL7657621 | 0.80 | DDR1 (0.42) | RAB9AKMT2ANPC1MEN1MAPT | |
| SCHEMBL7652847 | 0.80 | ROCK2 (0.46) | RAB9AKMT2ANPC1MEN1MAPT | |
| SCHEMBL7653791 | 0.79 | MAPT (0.45) | RAB9AKMT2ANPC1MEN1MAPT | |
| SCHEMBL8184655 | 0.79 | ROCK2 (0.51) | RAB9AKMT2ANPC1MEN1MAPT | |
| SCHEMBL7652814 | 0.78 | NAMPT (0.55) | RAB9ANPC1ROCK2GAAALDH1A1 | |
| SCHEMBL7661973 | 0.78 | BRAF (0.46) | KMT2AMEN1MAPTTP53ROCK2 |
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 |