Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29278121 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C19CYP2C9NPSR1 | |
| SCHEMBL29278094 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C19CYP2C9NPSR1 | |
| SCHEMBL30762189 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C19CYP2C9NPSR1 | |
| SCHEMBL29278097 | 0.77 | LOXL2 (0.48) | HRH3 | |
| SCHEMBL30762166 | 0.77 | TSHR (0.45) | CYP1A2CYP2D6CYP2C19CYP2C9NPSR1 | |
| SCHEMBL29278114 | 0.77 | TSHR (0.45) | CYP1A2CYP2D6CYP2C19CYP2C9NPSR1 | |
| SCHEMBL20095958 | 0.77 | HRH3 (0.41) | CYP1A2CYP2D6CYP2C19CYP2C9NPSR1 | |
| SCHEMBL15716128 | 0.76 | MAOB (0.39) | CYP1A2CYP2D6CYP2C19CYP2C9NPSR1 | |
| SCHEMBL19682405 | 0.74 | CYP2A6 (0.47) | CYP1A2CYP2D6CYP2C19CYP2C9NPSR1 | |
| SCHEMBL20096075 | 0.74 | LOXL2 (0.47) | HRH3BLMMAPT |
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-117402081-A | Aryl substituted amine derivative, preparation method and application thereof | 南京医科大学 | 2024-01-16 | — | — | CN | disclosed |