Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.62 |
| ▸ | ME2 | P23368 | 1/20 | 0.59 |
| ▸ | ME1 | P48163 | 1/20 | 0.59 |
| ▸ | ME3 | Q16798 | 1/20 | 0.59 |
| ▸ | MLNR | O43193 | 1/20 | 0.55 |
| ▸ | CNR1 | P21554 | 5/20 | 0.55 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | LIPE | Q05469 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL23252437 | 0.86 | HRH3 (0.64) | HRH3CNR1ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL22588108 | 0.86 | HRH3 (0.59) | HRH3ME2ME1ME3MLNR | |
| SCHEMBL22605908 | 0.85 | HRH3 (0.58) | HRH3ME2ME1ME3MLNR | |
| SCHEMBL22605564 | 0.81 | EPHX2 (0.56) | HRH3ME2ME1ME3MLNR | |
| SCHEMBL4272470 | 0.81 | HRH3 (0.63) | HRH3ME2ME1ME3MLNR | |
| SCHEMBL14595544 | 0.81 | MEN1 (0.54) | ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1 | |
| SCHEMBL13621145 | 0.81 | CYP19A1 (0.55) | ALDH1A1SMN1; SMN2KMT2AMEN1CYP1A2 | |
| SCHEMBL15014500 | 0.80 | L3MBTL1 (0.71) | ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1 | |
| SCHEMBL22874894 | 0.80 | SMN1; SMN2 (0.65) | ME2ME1ME3MLNRALDH1A1 | |
| SCHEMBL18787412 | 0.79 | ME2 (0.65) | HRH3ME2ME1ME3CNR1 |
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 |