Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | WEE1 | P30291 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7649835 | 0.86 | ESR1 (0.34) | ESR1ESR2 | |
| SCHEMBL7649698 | 0.85 | ESR1 (0.33) | ESR1ESR2 | |
| SCHEMBL7654377 | 0.84 | ESR1 (0.33) | ESR1ESR2 | |
| SCHEMBL6600846 | 0.76 | ESR1 (0.56) | ESR1ESR2 | |
| SCHEMBL7655450 | 0.75 | ESR1 (0.42) | ESR1ESR2WEE1 | |
| SCHEMBL8207512 | 0.73 | SLC6A2 (0.30) | — | |
| SCHEMBL4425612 | 0.69 | P2RY1 (0.35) | ESR1ESR2 | |
| SCHEMBL18759901 | 0.69 | ESR1 (0.44) | ESR1ESR2 | |
| SCHEMBL30962669 | 0.68 | DPP7 (0.43) | ESR1ESR2 | |
| SCHEMBL14348619 | 0.68 | DPP7 (0.43) | ESR1ESR2 |
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 4 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 |
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |