Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 7/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CRHBP | P24387 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CDC25A | P30304 | 2/20 | 0.41 |
| ▸ | CDC25B | P30305 | 2/20 | 0.41 |
| ▸ | CDC25C | P30307 | 2/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5043875 | 0.92 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPTKMT2ALMNA | |
| SCHEMBL5048559 | 0.90 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPTKMT2ALMNA | |
| SCHEMBL5133778 | 0.89 | ALDH1A1 (0.51) | ALDH1A1HPGDMAPTKMT2ALMNA | |
| SCHEMBL5048562 | 0.89 | ALDH1A1 (0.51) | ALDH1A1HPGDMAPTKMT2ALMNA | |
| SCHEMBL5049135 | 0.89 | ALDH1A1 (0.60) | ALDH1A1HPGDMAPTKMT2ALMNA | |
| SCHEMBL5048681 | 0.88 | ALDH1A1 (0.61) | ALDH1A1HPGDMAPTKMT2ALMNA | |
| SCHEMBL5049091 | 0.87 | ALDH1A1 (0.53) | ALDH1A1HPGDMAPTKMT2ALMNA | |
| SCHEMBL5048647 | 0.87 | ALDH1A1 (0.67) | ALDH1A1HPGDMAPTKMT2ALMNA | |
| SCHEMBL6877086 | 0.87 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPTKMT2ALMNA | |
| SCHEMBL5040235 | 0.85 | HTR2A (0.42) | ALDH1A1HPGDMAPTKMT2ALMNA |
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 |