Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16195352 | 0.90 | BRAF (0.33) | — | |
| SCHEMBL13837918 | 0.80 | HDAC8 (0.36) | HDAC8HDAC11HDAC6 | |
| SCHEMBL13838150 | 0.76 | GRM4 (0.35) | EPHB4 | |
| SCHEMBL13837940 | 0.72 | EPHB4 (0.51) | EPHB4 | |
| SCHEMBL16195058 | 0.70 | BRAF (0.38) | HDAC8HDAC11HDAC6 | |
| SCHEMBL16195229 | 0.68 | BRAF (0.35) | — | |
| SCHEMBL16194905 | 0.61 | BRAF (0.54) | — | |
| SCHEMBL31211967 | 0.57 | NPC1 (0.48) | NPC1 | |
| SCHEMBL24405807 | 0.55 | NPC1 (0.39) | NPC1 | |
| SCHEMBL24405997 | 0.54 | MAPT (0.39) | NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012148792-A1 | HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER | MERCK SHARP & DOHME CORP. (US) | 2012-11-01 | — | — | WO | disclosed |