Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 1/20 | 0.46 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | ME2 | P23368 | 1/20 | 0.46 |
| ▸ | ME1 | P48163 | 1/20 | 0.46 |
| ▸ | ME3 | Q16798 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31285887 | 1.00 | PLD1 (0.46) | PLD1PDE7AHRH3ME2ME1 | |
| SCHEMBL22605696 | 0.85 | HRH3 (0.51) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL22587791 | 0.83 | HRH3 (0.47) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL22605695 | 0.80 | TP53 (0.67) | PLD1HRH3ME2ME1ME3 | |
| SCHEMBL30317058 | 0.80 | TP53 (0.67) | PLD1HRH3ME2ME1ME3 | |
| SCHEMBL22588243 | 0.73 | HRH3 (0.44) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL2604299 | 0.73 | CRBN (0.71) | PLD1PDE7ATP53CRBN | |
| SCHEMBL31285868 | 0.72 | FPR2 (0.42) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL22605658 | 0.72 | HDAC1 (0.44) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL12569866 | 0.71 | GPR183 (0.47) | PLD1PDE7AMAPTMEN1KMT2A |
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 |