Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 15/20 | 0.49 |
| ▸ | ESR1 | P03372 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL3668486 | 1.00 | ESR2 (0.49) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL10240973 | 0.86 | MRGPRX4 (0.44) | CYP2C9FFAR4 | |
| SCHEMBL600826 | 0.80 | GPR119 (0.47) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL600827 | 0.80 | GPR119 (0.47) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| Bicarbonate SCHEMBL6206823 | 0.78 | ESR2 (0.68) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL21482373 | 0.78 | ESR2 (0.53) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL3668448 | 0.78 | NPC1 (0.44) | HCRTR2FFAR4 | |
| SCHEMBL3669303 | 0.78 | DRD2 (0.47) | HCRTR2FFAR4 | |
| SCHEMBL3669306 | 0.78 | DRD2 (0.47) | HCRTR2FFAR4 | |
| SCHEMBL3668450 | 0.78 | NPC1 (0.44) | HCRTR2FFAR4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2391611-B1 | THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | SANOFI SA (FR) | 2014-04-30 | — | — | EP | disclosed |
| EP-2391611-A1 | THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010086551-A1 | THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2010-08-05 | — | — | WO | disclosed |