Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 15/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6052629 | 0.78 | HRH3 (0.48) | HRH3SLC6A4SLC6A2KCNH2KDM4E | |
| Hydrochloric Acid SCHEMBL7250397 | 0.75 | SIGMAR1 (0.49) | SIGMAR1 | |
| Hydrochloric Acid SCHEMBL5760954 | 0.75 | SIGMAR1 (0.49) | SIGMAR1 | |
| SCHEMBL4084100 | 0.74 | HRH3 (0.87) | HRH3KCNH2KDM4EHRH1ALDH1A1 | |
| SCHEMBL67164 | 0.74 | SIGMAR1 (0.66) | HRH3ALDH1A1SIGMAR1 | |
| SCHEMBL2823877 | 0.74 | HRH3 (0.87) | HRH3KCNH2KDM4EHRH1ALDH1A1 | |
| SCHEMBL9529137 | 0.72 | HRH3 (0.63) | HRH3SLC6A4SLC6A2KCNH2KDM4E | |
| Bromide SCHEMBL23393414 | 0.72 | HRH3 (0.84) | HRH3KCNH2KDM4EHRH1ALDH1A1 | |
| SCHEMBL15920898 | 0.72 | HRH3 (0.82) | HRH3KCNH2KDM4EHRH1ALDH1A1 | |
| SCHEMBL5757931 | 0.72 | SIGMAR1 (0.53) | HRH3KCNH2HRH4SIGMAR1 |
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-107698538-B | Preparation method of intermediate 3- (1-piperidinylmethyl) phenol of roxatidine acetate hydrochloride | 内蒙古京东药业有限公司 | 2020-02-14 | — | — | CN | disclosed |