Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 18/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RHEB | Q15382 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27902519 | 0.89 | GPBAR1 (0.56) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28117569 | 0.85 | GPBAR1 (0.53) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2216478 | 0.75 | GPBAR1 (0.69) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28117572 | 0.74 | GPBAR1 (0.57) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27335485 | 0.71 | CXCL8 (0.47) | GPBAR1 | |
| SCHEMBL9488215 | 0.71 | RHEB (0.55) | GPBAR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2215954 | 0.70 | GPBAR1 (0.61) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6645577 | 0.69 | CDC25B (0.34) | — | |
| SCHEMBL27902547 | 0.69 | GPBAR1 (0.57) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27885552 | 0.69 | GPBAR1 (0.58) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106317027-A | Heteroaryl amide derivative and use thereof as TGR5 agonist | 山东轩竹医药科技有限公司 | 2017-01-11 | — | — | CN | disclosed |