Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 12/20 | 0.46 |
| ▸ | AKT1 | P31749 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | DHPS | P49366 | 1/20 | 0.41 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL3825568 | 0.84 | HDAC1 (0.53) | HDAC1HDAC3HDAC2DHPSACKR3 | |
| SCHEMBL3570229 | 0.83 | HDAC2 (0.55) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL8250687 | 0.82 | HDAC1 (0.50) | HDAC1HDAC3HDAC2 | |
| SCHEMBL5558120 | 0.75 | CLK1 (0.48) | HDAC1DHPSACKR3 | |
| SCHEMBL1892081 | 0.75 | HDAC1 (0.65) | HDAC1HDAC3HDAC2ACKR3 | |
| SCHEMBL3571690 | 0.73 | HDAC2 (0.48) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL13036451 | 0.72 | HDAC1 (0.49) | HDAC1ACKR3 | |
| SCHEMBL5558726 | 0.72 | CLK1 (0.47) | — | |
| SCHEMBL5564638 | 0.72 | CLK1 (0.45) | HDAC1ACKR3 | |
| SCHEMBL5563584 | 0.72 | CLK1 (0.45) | ACKR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7834034-B2 | Benzothiophene derivatives | MERCK SHARP & DOHME CORP. (US) | 2010-11-16 | — | — | US | disclosed |
| EP-1874295-A4 | BENZOTHIOPHENE DERIVATIVES | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-1874295-A1 | BENZOTHIOPHENE DERIVATIVES | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006115845-A1 | BENZOTHIOPHENE DERIVATIVES | MERCK & CO., INC. (US) | 2006-11-02 | — | — | WO | disclosed |