Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 6/20 | 0.40 |
| ▸ | RAF1 | P04049 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6602294 | 0.91 | ESR1 (0.48) | ESR1ESR2PDE4DBRAFRAF1 | |
| SCHEMBL6602418 | 0.90 | ESR1 (0.47) | ESR1ESR2PDE4DBRAFRAF1 | |
| SCHEMBL6601638 | 0.89 | ESR1 (0.46) | ESR1ESR2PDE4DBRAFMAPT | |
| SCHEMBL6602603 | 0.88 | HDAC8 (0.46) | PDE4DBRAFRAF1MAPTTP53 | |
| SCHEMBL8135404 | 0.84 | ESR1 (0.42) | ESR1ESR2PDE4DBRAFRAF1 | |
| SCHEMBL6604702 | 0.84 | ESR1 (0.42) | ESR1ESR2PDE4DMAPTTP53 | |
| SCHEMBL6603067 | 0.84 | ESR1 (0.42) | ESR1ESR2PDE4DMAPTTP53 | |
| SCHEMBL6605922 | 0.80 | PDE4D (0.43) | PDE4DBRAFRAF1MAPTSMN1; SMN2 | |
| SCHEMBL6602301 | 0.79 | HDAC8 (0.48) | PDE4DBRAFRAF1MAPTTP53 | |
| SCHEMBL6601028 | 0.78 | HDAC8 (0.45) | PDE4DBRAFRAF1MAPTTP53 |
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 |