Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.56 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.56 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.56 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.55 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.55 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.50 |
| ▸ | MPO | P05164 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6220357 | 0.86 | CYP2D6 (0.71) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16433186 | 0.85 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7230859 | 0.85 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3703101 | 0.85 | PKM (0.67) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8292283 | 0.84 | CYP2D6 (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6222377 | 0.83 | CYP2D6 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9374131 | 0.82 | SMN1; SMN2 (1.00) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27642166 | 0.82 | SLC6A4 (0.60) | CYP2C9CYP2C19SLC6A4MTNR1AMTNR1B | |
| SCHEMBL31173807 | 0.82 | SLC6A4 (0.60) | CYP2C9CYP2C19SLC6A4MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL9369222 | 0.81 | SMN1; SMN2 (0.97) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-104163813-B | Substituted indole compound, and preparation method and use thereof | 广东东阳光药业有限公司 | 2017-02-01 | — | — | CN | disclosed |