Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 11/20 | 0.47 |
| ▸ | TYK2 | P29597 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.43 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 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 | |
|---|---|---|---|---|
| SCHEMBL6635011 | 0.85 | MAPT (0.51) | GPBAR1TYK2GSK3BIMPDH2 | |
| SCHEMBL6637207 | 0.85 | TSHR (0.48) | GPBAR1TYK2TSHR | |
| SCHEMBL6635289 | 0.85 | PARP14 (0.45) | GPBAR1TYK2KDM4CKDM4D | |
| SCHEMBL6635013 | 0.83 | PARP14 (0.48) | KDM4CKDM4D | |
| SCHEMBL12496930 | 0.83 | GSK3A (0.55) | KDM4CKDM4DGSK3AGSK3BTSHR | |
| SCHEMBL12097325 | 0.82 | NAMPT (0.44) | GPBAR1 | |
| SCHEMBL2003108 | 0.81 | KDM4C (0.45) | GPBAR1KDM4C | |
| SCHEMBL5107006 | 0.81 | RAB9A (0.53) | — | |
| Hydrochloric Acid SCHEMBL5508376 | 0.80 | KDM4C (0.44) | GPBAR1KDM4C | |
| SCHEMBL6634845 | 0.80 | CYP1A2 (0.50) | GPBAR1KDM4CCYP1A2CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2681194-B1 | 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS | HOFFMANN LA ROCHE (CH) | 2015-04-15 | — | — | EP | disclosed |