Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KLKB1 | P03952 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 4/20 | 0.43 |
| ▸ | EIF4E | P06730 | 1/20 | 0.42 |
| ▸ | KLK1 | P06870 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5048635 | 0.94 | MAPT (0.50) | HPGDALDH1A1KLKB1MAPTTP53 | |
| SCHEMBL5046032 | 0.94 | KLKB1 (0.53) | HPGDALDH1A1KLKB1MAPTTP53 | |
| SCHEMBL5048674 | 0.93 | HPGD (0.51) | HPGDALDH1A1KLKB1MAPTTP53 | |
| SCHEMBL5043715 | 0.92 | HPGD (0.50) | HPGDALDH1A1KLKB1MAPTTP53 | |
| SCHEMBL5044444 | 0.92 | HPGD (0.50) | HPGDALDH1A1KLKB1MAPTTP53 | |
| SCHEMBL5039553 | 0.91 | KLKB1 (0.48) | HPGDALDH1A1KLKB1MAPTTP53 | |
| SCHEMBL5043940 | 0.91 | EIF4E (0.50) | HPGDALDH1A1KLKB1MAPTTP53 | |
| SCHEMBL5043818 | 0.90 | MAPT (0.51) | HPGDALDH1A1KLKB1MAPTTP53 | |
| SCHEMBL5048621 | 0.89 | KLKB1 (0.48) | HPGDALDH1A1KLKB1MAPTTP53 | |
| SCHEMBL5047021 | 0.89 | KLKB1 (0.49) | HPGDALDH1A1KLKB1MAPTTP53 |
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 |