Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | ME2 | P23368 | 1/20 | 0.48 |
| ▸ | ME1 | P48163 | 1/20 | 0.48 |
| ▸ | ME3 | Q16798 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 5/20 | 0.46 |
| ▸ | MLNR | O43193 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL22587942 | 0.77 | HRH3 (0.50) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL22588108 | 0.76 | HRH3 (0.59) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL22605639 | 0.76 | HRH3 (0.62) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL28538566 | 0.75 | HRH3 (0.52) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL28535221 | 0.75 | HRH3 (0.50) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL22605908 | 0.75 | HRH3 (0.58) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL22588006 | 0.74 | HSD11B1 (0.58) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL22594434 | 0.74 | HSD11B1 (0.73) | HSD11B1CYP3A4 | |
| SCHEMBL22588037 | 0.74 | HSD11B1 (0.58) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL30317157 | 0.74 | HSD11B1 (0.73) | HSD11B1CYP3A4 |
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 |