Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | PPARD | Q03181 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | CPT2 | P23786 | 2/20 | 0.39 |
| ▸ | CPT1A | P50416 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CPT1B | Q92523 | 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 | |
|---|---|---|---|---|
| SCHEMBL6601028 | 0.88 | HDAC8 (0.45) | MAPTTP53PDE4D | |
| SCHEMBL6601821 | 0.85 | MAPT (0.42) | MAPTTP53GAAPDE4DNPC1 | |
| SCHEMBL6602418 | 0.85 | ESR1 (0.47) | MAPTTP53GAAPDE4DNPC1 | |
| SCHEMBL6601940 | 0.84 | ABCG2 (0.43) | MAPTTP53GAAPDE4D | |
| SCHEMBL6602306 | 0.79 | MAPT (0.45) | MAPTGAAPDE4DNPC1RAB9A | |
| SCHEMBL6601437 | 0.79 | MAPT (0.37) | MAPTTP53GAAPDE4DCPT2 | |
| SCHEMBL6601429 | 0.79 | ABCG2 (0.39) | MAPT | |
| SCHEMBL6601425 | 0.78 | BRAF (0.37) | MAPTTP53GAAPDE4DCPT2 | |
| SCHEMBL8135861 | 0.78 | ABCG2 (0.39) | MAPT | |
| SCHEMBL6602301 | 0.78 | HDAC8 (0.48) | MAPTTP53PDE4D |
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-1042296-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | claimed |
| US-6248754-B1 | PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-06-19 | — | — | US | claimed |
| EP-1042296-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-10-11 | — | — | EP | claimed |
| WO-1999031068-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-06-24 | — | — | WO | 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 |