Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 2/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8135861 | 0.93 | ABCG2 (0.39) | ABCG2ABCB1NTRK1MAPTPDCD1 | |
| SCHEMBL6601028 | 0.89 | HDAC8 (0.45) | MAPTBRAFRAF1PDE4DTP53 | |
| SCHEMBL6601429 | 0.88 | ABCG2 (0.39) | ABCG2ABCB1MAPTHTR2AHTR2C | |
| SCHEMBL6601821 | 0.84 | MAPT (0.42) | ABCB1MAPTHTR2AHTR2CHTR2B | |
| SCHEMBL6602418 | 0.84 | ESR1 (0.47) | ABCB1MAPTHTR2AHTR2CHTR2B | |
| SCHEMBL6601437 | 0.84 | MAPT (0.37) | ABCG2ABCB1MAPTHTR2AHTR2C | |
| SCHEMBL6602605 | 0.84 | MAPT (0.48) | MAPTPDE4DTP53GAA | |
| SCHEMBL6601425 | 0.79 | BRAF (0.37) | MAPTHTR2AHTR2CHTR2BBRAF | |
| SCHEMBL6602301 | 0.79 | HDAC8 (0.48) | MAPTHTR2ABRAFRAF1PDE4D | |
| SCHEMBL6602603 | 0.79 | HDAC8 (0.46) | MAPTBRAFRAF1PDE4DTP53 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1395251-A2 | AMINEDIOLS AS AGENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2004-03-10 | — | — | EP | claimed |
| EP-1042296-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | claimed |
| WO-2002100818-A2 | AMINEDIOLS AS AGENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| US-6248754-B1 | PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-06-19 | — | — | US | claimed |
| 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 |