Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.63 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22432716 | 0.88 | HRH3 (0.60) | HRH3SRD5A1CYP2D6HRH1NPC1 | |
| SCHEMBL8141384 | 0.86 | HRH3 (0.59) | HRH3SRD5A1CYP2D6HRH1PDK1 | |
| SCHEMBL28499625 | 0.83 | HRH3 (0.70) | HRH3SRD5A1CYP2D6HRH1NPC1 | |
| SCHEMBL14402264 | 0.81 | L3MBTL1 (0.60) | HRH3SRD5A1CYP2D6HRH1KDM4E | |
| SCHEMBL9194405 | 0.81 | HRH3 (0.53) | HRH3SRD5A1CYP2D6HRH1NPC1 | |
| SCHEMBL7248730 | 0.81 | HRH3 (0.53) | HRH3SRD5A1CYP2D6HRH1PDK1 | |
| SCHEMBL24200094 | 0.80 | ADRB3 (0.63) | HRH3SRD5A1CYP2D6PDK1PDK2 | |
| SCHEMBL4917832 | 0.80 | HRH3 (0.77) | HRH3CYP2D6HRH1KDM4EMEN1 | |
| SCHEMBL2163755 | 0.78 | ROCK2 (0.56) | HRH3SRD5A1CYP2D6HRH1NPC1 | |
| SCHEMBL5450398 | 0.77 | HRH3 (1.00) | HRH3CYP2D6HRH1NPC1TP53 |
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-114634443-A | Aromatic dihydropyrrole [2,3] cyclobutane compound and synthesis method thereof | 湖南科技学院 | 2022-06-17 | — | — | CN | disclosed |