Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 2/20 | 0.46 |
| ▸ | KLK1 | P06870 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR2C | P28335 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 3/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 3/20 | 0.36 |
| ▸ | MERTK | Q12866 | 3/20 | 0.36 |
| ▸ | GAS6 | Q14393 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CPT2 | P23786 | 1/20 | 0.35 |
| ▸ | CPT1A | P50416 | 1/20 | 0.35 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL5044141 | 0.90 | KLKB1 (0.48) | KLKB1KLK1HTR2AHTR2CSLC6A4 | |
| SCHEMBL5047848 | 0.89 | KLKB1 (0.44) | KLKB1KLK1HTR2AHTR2CSLC6A4 | |
| SCHEMBL5049144 | 0.88 | HTR2A (0.43) | KLKB1KLK1HTR2AHTR2CSLC6A4 | |
| SCHEMBL5039559 | 0.88 | KLKB1 (0.46) | KLKB1KLK1HTR2AHTR2CSLC6A4 | |
| SCHEMBL5039577 | 0.86 | KLKB1 (0.42) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5040282 | 0.86 | KLKB1 (0.42) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5046013 | 0.85 | HTR2A (0.45) | KLKB1KLK1HTR2AHTR2CSLC6A4 | |
| SCHEMBL5045669 | 0.85 | HTR2A (0.43) | KLKB1KLK1HTR2AHTR2CSLC6A4 | |
| SCHEMBL5043894 | 0.85 | KLKB1 (0.47) | KLKB1KLK1HTR2AHTR2CSLC6A4 | |
| SCHEMBL5045693 | 0.84 | HTR2A (0.45) | KLKB1KLK1HTR2AHTR2CSLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |