Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 3/20 | 0.54 |
| ▸ | ME2 | P23368 | 1/20 | 0.54 |
| ▸ | ME1 | P48163 | 1/20 | 0.54 |
| ▸ | ME3 | Q16798 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 4/20 | 0.48 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.48 |
| ▸ | LIPE | Q05469 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22588174 | 0.88 | MLNR (0.53) | MLNRME2ME1ME3HRH3 | |
| SCHEMBL31285937 | 0.88 | MLNR (0.53) | MLNRME2ME1ME3HRH3 | |
| SCHEMBL22587771 | 0.86 | MLNR (0.52) | MLNRME2ME1ME3HRH3 | |
| SCHEMBL31285860 | 0.86 | MLNR (0.54) | MLNRME2ME1ME3HRH3 | |
| SCHEMBL22588179 | 0.86 | MLNR (0.54) | MLNRME2ME1ME3HRH3 | |
| SCHEMBL31285863 | 0.84 | MAPK1 (0.56) | MLNRME2ME1ME3HRH3 | |
| SCHEMBL22587877 | 0.84 | MAPK1 (0.56) | MLNRME2ME1ME3HRH3 | |
| SCHEMBL22605540 | 0.83 | POLB (0.53) | MLNRME2ME1ME3HRH3 | |
| SCHEMBL22605800 | 0.82 | MLNR (0.50) | MLNRME2ME1ME3HRH3 | |
| SCHEMBL22605825 | 0.81 | MLNR (0.53) | MLNRME2ME1ME3HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |