Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ARG1 | P05089 | 2/20 | 0.40 |
| ▸ | ARG2 | P78540 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29056699 | 0.86 | HRH3 (0.41) | HRH3HRH2HRH1KCNH2SMN1; SMN2 | |
| SCHEMBL28949582 | 0.82 | HRH3 (0.36) | HRH3HRH2HRH1KCNH2SMN1; SMN2 | |
| SCHEMBL31243628 | 0.80 | CYP2D6 (0.54) | HRH3CYP3A4SMN1; SMN2CYP2D6 | |
| SCHEMBL27951782 | 0.79 | HRH3 (0.43) | HRH3HRH2HRH1CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL7396009 | 0.79 | CYP2D6 (0.53) | HRH3CYP3A4SMN1; SMN2CYP2D6 | |
| SCHEMBL14641556 | 0.79 | HRH3 (0.49) | HRH3CYP3A4CYP2C9KCNH2SMN1; SMN2 | |
| SCHEMBL29088756 | 0.79 | SMN1; SMN2 (0.42) | HRH3CYP3A4CYP2C9KCNH2SMN1; SMN2 | |
| SCHEMBL8814790 | 0.77 | CXCR4 (0.43) | HRH3HRH2HRH1SMN1; SMN2CYP2D6 | |
| SCHEMBL8939921 | 0.77 | GAA (0.53) | HRH3KCNH2SMN1; SMN2CHRM2CHRM1 | |
| SCHEMBL2686485 | 0.75 | HRH3 (0.50) | HRH3HRH1KCNH2SMN1; SMN2CYP2D6 |
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-111491623-A | Compounds and their use in the treatment of cancer | 阿斯利康(瑞典)有限公司 | 2020-08-04 | — | — | CN | disclosed |