Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 5/20 | 0.37 |
| ▸ | RAF1 | P04049 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | CPT2 | P23786 | 2/20 | 0.35 |
| ▸ | CPT1A | P50416 | 2/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6601437 | 0.84 | MAPT (0.37) | BRAFRAF1MAPTCPT2CPT1A | |
| SCHEMBL6601028 | 0.81 | HDAC8 (0.45) | BRAFRAF1MAPTPDE4DTP53 | |
| SCHEMBL6601940 | 0.79 | ABCG2 (0.43) | BRAFRAF1MAPTPDE4DTP53 | |
| SCHEMBL6601821 | 0.79 | MAPT (0.42) | BRAFRAF1MAPTMEN1HTT | |
| SCHEMBL6602418 | 0.79 | ESR1 (0.47) | BRAFRAF1MAPTPDE4DTP53 | |
| SCHEMBL6602605 | 0.78 | MAPT (0.48) | MAPTCPT2CPT1APDE4DTP53 | |
| SCHEMBL6601429 | 0.76 | ABCG2 (0.39) | BRAFRAF1MAPTHTR2AHTR2C | |
| SCHEMBL8135861 | 0.73 | ABCG2 (0.39) | BRAFMAPT | |
| SCHEMBL6602306 | 0.73 | MAPT (0.45) | MAPTKDM4EMEN1CYP2D6CYP2C9 | |
| SCHEMBL6602301 | 0.72 | HDAC8 (0.48) | BRAFRAF1MAPTHTR1DHTR1B |
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 |