Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TARBP2 | Q15633 | 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 | |
|---|---|---|---|---|
| SCHEMBL28117572 | 0.82 | GPBAR1 (0.57) | GPBAR1GAAHTTLMNA | |
| SCHEMBL28837466 | 0.82 | GPBAR1 (0.55) | GPBAR1GAAALDH1A1KDM4EHTT | |
| SCHEMBL2215954 | 0.78 | GPBAR1 (0.61) | GPBAR1MAPTALDH1A1HPGD | |
| SCHEMBL28047041 | 0.75 | MAPT (0.52) | MAPTNPSR1GAAGPR55ALDH1A1 | |
| SCHEMBL28109642 | 0.75 | GPBAR1 (0.58) | GPBAR1MAPTALDH1A1HPGD | |
| SCHEMBL11732040 | 0.74 | MAPT (0.49) | MAPTNPSR1ALDH1A1KDM4EHTT | |
| SCHEMBL2218115 | 0.72 | MAPT (0.43) | GPBAR1MAPTNPSR1GAAGPR55 | |
| SCHEMBL21843252 | 0.72 | BRD4 (0.56) | MAPTNPSR1ALDH1A1KDM4EHTT | |
| SCHEMBL4492301 | 0.72 | MRGPRX4 (0.50) | MAPTNPSR1GAAALDH1A1GABRA2 | |
| SCHEMBL8720565 | 0.71 | MAPT (0.51) | MAPTNPSR1ALDH1A1NPC1 |
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 |