Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 16/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28837466 | 0.88 | GPBAR1 (0.55) | GPBAR1CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL28117752 | 0.82 | GPBAR1 (0.50) | GPBAR1LMNAGAAHTT | |
| SCHEMBL2329971 | 0.81 | GPBAR1 (0.60) | GPBAR1CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL2335696 | 0.75 | GPBAR1 (0.60) | GPBAR1CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL28117576 | 0.74 | GPBAR1 (0.56) | GPBAR1CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL2337128 | 0.73 | GPBAR1 (0.46) | GPBAR1CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL27885554 | 0.72 | RHEB (0.47) | GPBAR1CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL30749510 | 0.71 | HTR1A (0.51) | GPBAR1CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL29209321 | 0.71 | HTR1A (0.51) | GPBAR1CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL17674836 | 0.70 | MAPT (0.36) | CYP2C9CYP1A2CYP2C19LMNAGAA |
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 |