Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | LSS | P48449 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22837810 | 0.95 | LSS (0.50) | HTR1BCYP2C19KDM4EALDH1A1CYP2D6 | |
| SCHEMBL29969134 | 0.95 | LSS (0.50) | HTR1BCYP2C19KDM4EALDH1A1CYP2D6 | |
| SCHEMBL11213105 | 0.89 | HTR7 (0.57) | HTR1BCYP2C19CYP2D6HTR7CHRM2 | |
| SCHEMBL30597115 | 0.89 | HTR7 (0.57) | HTR1BCYP2C19CYP2D6HTR7CHRM2 | |
| SCHEMBL11578564 | 0.81 | HTR7 (0.62) | HTR1BKDM4EALDH1A1HTR7LSS | |
| SCHEMBL423447 | 0.79 | CYP2D6 (0.50) | CYP2C19KDM4ECYP2D6 | |
| SCHEMBL29550677 | 0.79 | HTR7 (0.44) | HTR1BCYP2C19KDM4EALDH1A1CYP2D6 | |
| SCHEMBL7874084 | 0.78 | HTR1D (0.48) | HTR1BCYP2C19CYP2D6 | |
| SCHEMBL4190714 | 0.78 | KDM4E (0.50) | CYP2C19KDM4EALDH1A1CYP2D6 | |
| SCHEMBL7453009 | 0.78 | SOAT1 (0.49) | CYP2C19KDM4EALDH1A1CYP2D6CHRM2 |
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-108026105-A | Tgf beta receptor antagonists | 百时美施贵宝公司 | 2018-05-11 | — | — | CN | disclosed |