Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 2/20 | 0.46 |
| ▸ | KLK1 | P06870 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 6/20 | 0.39 |
| ▸ | HTR2C | P28335 | 6/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 2/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | MERTK | Q12866 | 1/20 | 0.36 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5043558 | 0.88 | KLKB1 (0.47) | KLKB1KLK1ALDH1A1HPGDHDAC1 | |
| SCHEMBL5043894 | 0.87 | KLKB1 (0.47) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5048683 | 0.86 | KLKB1 (0.44) | KLKB1KLK1ALDH1A1HPGDHDAC1 | |
| SCHEMBL5046948 | 0.86 | KLKB1 (0.50) | KLKB1KLK1ALDH1A1HPGDKMT2A | |
| SCHEMBL6069189 | 0.84 | KLKB1 (0.46) | KLKB1KLK1HPGDHDAC1HDAC8 | |
| SCHEMBL5043868 | 0.84 | KLKB1 (0.46) | KLKB1KLK1ALDH1A1HDAC1HDAC8 | |
| SCHEMBL5044289 | 0.83 | KLKB1 (0.42) | KLKB1KLK1ALDH1A1HPGDHDAC1 | |
| SCHEMBL5048681 | 0.82 | ALDH1A1 (0.61) | KLKB1KLK1ALDH1A1HPGDKDM4E | |
| SCHEMBL5047848 | 0.82 | KLKB1 (0.44) | KLKB1KLK1ALDH1A1HPGDHDAC1 | |
| SCHEMBL5043461 | 0.81 | KLKB1 (0.42) | KLKB1KLK1HPGDHDAC1HDAC8 |
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 |