Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.39 |
| ▸ | BRAF | P15056 | 11/20 | 0.39 |
| ▸ | RAF1 | P04049 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6601940 | 0.88 | ABCG2 (0.43) | ABCG2ABCB1BRAFRAF1HTR2A | |
| SCHEMBL6601028 | 0.83 | HDAC8 (0.45) | BRAFRAF1MAPT | |
| SCHEMBL8135861 | 0.81 | ABCG2 (0.39) | ABCG2ABCB1BRAFMAPT | |
| SCHEMBL6601437 | 0.81 | MAPT (0.37) | ABCG2ABCB1BRAFRAF1HTR2A | |
| SCHEMBL6601821 | 0.79 | MAPT (0.42) | ABCB1BRAFRAF1HTR2AHTR2C | |
| SCHEMBL6602418 | 0.79 | ESR1 (0.47) | ABCB1BRAFRAF1HTR2AHTR2C | |
| SCHEMBL6602605 | 0.79 | MAPT (0.48) | MAPT | |
| SCHEMBL6601425 | 0.76 | BRAF (0.37) | BRAFRAF1HTR2AHTR2CHTR2B | |
| SCHEMBL6299432 | 0.74 | ABCB1 (0.57) | ABCG2ABCB1BRAFMAPT | |
| SCHEMBL6602301 | 0.74 | HDAC8 (0.48) | BRAFRAF1HTR2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1042296-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | disclosed |
| US-6248754-B1 | PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-06-19 | — | — | US | disclosed |
| EP-1042296-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999031068-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-06-24 | — | — | WO | disclosed |