Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1643581 | 0.80 | SLC6A4 (0.44) | CYP2C9CYP1A2CYP2C19NPSR1CYP3A4 | |
| SCHEMBL1645250 | 0.80 | SLC6A4 (0.44) | CYP2C9CYP1A2CYP2C19NPSR1CYP3A4 | |
| SCHEMBL1645241 | 0.79 | SLC6A4 (0.42) | CYP2C9CYP1A2CYP2C19NPSR1CYP3A4 | |
| SCHEMBL1643602 | 0.79 | SLC6A4 (0.42) | CYP2C9CYP1A2CYP2C19NPSR1CYP3A4 | |
| SCHEMBL1644135 | 0.78 | F10 (0.44) | CYP2C9CYP1A2CYP2C19NPSR1MAPT | |
| SCHEMBL1644681 | 0.78 | F10 (0.44) | CYP2C9CYP1A2CYP2C19NPSR1SLC6A4 | |
| SCHEMBL1009992 | 0.77 | PPARG (0.47) | CYP2C9CYP1A2CYP2C19NPSR1CYP3A4 | |
| SCHEMBL2556029 | 0.77 | SLC6A4 (0.41) | NPSR1SLC6A4KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL3483384 | 0.77 | PTGDR2 (0.39) | CYP2C9CYP1A2CYP2C19NPSR1SLC6A4 | |
| SCHEMBL1007883 | 0.77 | SCN9A (0.49) | CYP2C9CYP1A2CYP2C19NPSR1CYP3A4 |
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-118496142-A | Aryl alkylamine compound and preparation method and application thereof | 仁合益康集团有限公司 | 2024-08-16 | — | — | CN | disclosed |