Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 15/20 | 0.71 |
| ▸ | CNR2 | P34972 | 7/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13717726 | 1.00 | CNR1 (0.71) | CNR1CNR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL13602554 | 1.00 | CNR1 (0.71) | CNR1CNR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL13717376 | 1.00 | CNR1 (0.71) | CNR1CNR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL13717141 | 1.00 | CNR1 (0.71) | CNR1CNR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL13717274 | 0.93 | CNR1 (0.79) | CNR1CNR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL13717145 | 0.93 | CNR1 (0.79) | CNR1CNR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL13717212 | 0.93 | CNR1 (0.79) | CNR1CNR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL13602730 | 0.93 | CNR1 (0.69) | CNR1CNR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL13602643 | 0.91 | CNR1 (0.69) | CNR1CNR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL3922294 | 0.89 | CNR1 (0.56) | CNR1CNR2HTR2AHTR2CSLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1583742-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004060870-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-22 | — | — | WO | disclosed |