Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 3/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL26152586 | 0.83 | CYP2D6 (0.48) | CYP2D6CYP2C19NPSR1POLBHTT | |
| SCHEMBL28858981 | 0.81 | ALDH1A1 (0.61) | CYP2D6CYP2C19NPSR1POLBHTT | |
| SCHEMBL9857031 | 0.78 | PPARG (0.41) | CYP2D6CYP2C19HTR7HRH1HTR2A | |
| SCHEMBL9857050 | 0.77 | TAAR1 (0.42) | HRH1HTR2ASIGMAR1TAAR1 | |
| SCHEMBL9230337 | 0.76 | HTR2A (0.65) | CYP2D6CYP2C19HTTHTR7HRH1 | |
| SCHEMBL9857039 | 0.75 | ALDH1A1 (0.61) | CYP2D6CYP2C19HRH1HTR2AALDH1A1 | |
| SCHEMBL9856862 | 0.75 | HTR2A (0.49) | CYP2D6HTTL3MBTL1HTR7HRH1 | |
| SCHEMBL5403632 | 0.74 | HTR7 (0.46) | NPSR1POLBHTTL3MBTL1HTR7 | |
| SCHEMBL9857121 | 0.74 | KDM4E (0.42) | CYP2D6CYP2C19POLBHTTHTR7 | |
| SCHEMBL5667378 | 0.72 | CYP2D6 (0.56) | CYP2D6CYP2C19NPSR1POLBHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-4996235-A | Selectively inhibiting the uptake of serotonin and norepinephrine | ELI LILLY AND COMPANY (US) | 1991-02-26 | — | — | US | disclosed |