Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 7/20 | 0.50 |
| ▸ | KLK1 | P06870 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5045670 | 0.89 | KLKB1 (0.51) | KLKB1KLK1HPGDTP53RAB9A | |
| SCHEMBL5046032 | 0.89 | KLKB1 (0.53) | KLKB1KLK1ALDH1A1HPGDTP53 | |
| SCHEMBL5043741 | 0.88 | KLKB1 (0.50) | KLKB1KLK1HPGDMAPTRAB9A | |
| SCHEMBL5048621 | 0.87 | KLKB1 (0.48) | KLKB1KLK1ALDH1A1HPGDTP53 | |
| SCHEMBL5044577 | 0.86 | KLKB1 (0.46) | KLKB1KLK1ALDH1A1RAB9AKMT2A | |
| SCHEMBL5043757 | 0.86 | KLKB1 (0.47) | KLKB1KLK1ALDH1A1HPGDTP53 | |
| SCHEMBL5048635 | 0.86 | MAPT (0.50) | KLKB1KLK1ALDH1A1HPGDTP53 | |
| SCHEMBL5043692 | 0.86 | KLKB1 (0.46) | KLKB1KLK1ALDH1A1HPGDTP53 | |
| SCHEMBL5044964 | 0.86 | KLKB1 (0.47) | KLKB1KLK1ALDH1A1HPGDTP53 | |
| SCHEMBL5043715 | 0.85 | HPGD (0.50) | KLKB1KLK1ALDH1A1HPGDTP53 |
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 |