Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 5/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 5/20 | 0.43 |
| ▸ | HTR2C | P28335 | 5/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | ATP4A | P20648 | 1/20 | 0.40 |
| ▸ | ATP4B | P51164 | 1/20 | 0.40 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5047031 | 0.93 | HTR2A (0.43) | TP53CNR1POLBHTR2AHTR2C | |
| SCHEMBL5044023 | 0.92 | HTR2A (0.44) | TP53CNR1POLBHTR2AHTR2C | |
| SCHEMBL5046013 | 0.91 | HTR2A (0.45) | TP53HTR2AHTR2CSLC6A4MAPT | |
| SCHEMBL5045693 | 0.91 | HTR2A (0.45) | HTR2AHTR2CSLC6A4 | |
| SCHEMBL5043561 | 0.91 | HTR2A (0.45) | HTR2AHTR2CSLC6A4 | |
| SCHEMBL5039304 | 0.90 | AVPR1B (0.43) | TP53CNR1HTR2AHTR2CSLC6A4 | |
| SCHEMBL5047859 | 0.90 | HTR2A (0.49) | TP53CNR1POLBHTR2AHTR2C | |
| SCHEMBL5043875 | 0.89 | ALDH1A1 (0.47) | TP53HTR2AHTR2CSLC6A4MAPT | |
| SCHEMBL5044794 | 0.87 | AR (0.43) | POLBHTR2AHTR2CSLC6A4MAPT | |
| SCHEMBL3919639 | 0.87 | HTR2A (0.53) | CNR1HTR2AHTR2CSLC6A4MAPT |
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 |
| CN-100360527-C | CB 1 receptor inverse agonists | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | CN | disclosed |
| US-7135488-B2 | Pyrrolyl-thiazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-11-14 | — | — | US | disclosed |
| CN-1735611-A | CB 1 receptor inverse agonists | HOFFMANN LA ROCHE (CH) | 2006-02-15 | — | — | CN | disclosed |