Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 3/20 | 0.47 |
| ▸ | KLK1 | P06870 | 3/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 6/20 | 0.37 |
| ▸ | HTR2C | P28335 | 6/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.37 |
| ▸ | IDH1 | O75874 | 6/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5043692 | 0.87 | KLKB1 (0.46) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5044584 | 0.85 | KLKB1 (0.43) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL6069189 | 0.85 | KLKB1 (0.46) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5048938 | 0.84 | KLKB1 (0.46) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5046948 | 0.83 | KLKB1 (0.50) | KLKB1KLK1KMT2A | |
| SCHEMBL5047848 | 0.83 | KLKB1 (0.44) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5046011 | 0.81 | HTR2A (0.48) | HTR2AHTR2CSLC6A4IDH1KCNH2 | |
| SCHEMBL5047799 | 0.81 | HPGD (0.51) | KLKB1KLK1KDM4EHTR2AHTR2C | |
| SCHEMBL5043558 | 0.80 | KLKB1 (0.47) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5043461 | 0.78 | KLKB1 (0.42) | KLKB1KLK1HDAC1HDAC8HDAC6 |
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-1583762-B1 | PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS | HOFFMANN LA ROCHE (CH) | 2008-07-09 | — | — | EP | disclosed |
| US-7135488-B2 | Pyrrolyl-thiazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-11-14 | — | — | US | disclosed |
| EP-1583762-A1 | PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004060888-A1 | NOVEL CB 1 RECEPTOR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-22 | — | — | WO | disclosed |