Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | PTGIR | P43119 | 1/20 | 0.43 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28504267 | 0.99 | HRH2 (0.55) | HRH2HRH3SIGMAR1CHRM2ALDH1A1 | |
| SCHEMBL17714416 | 0.80 | ALDH1A1 (0.68) | HRH2HRH3SIGMAR1CHRM2ALDH1A1 | |
| SCHEMBL29050270 | 0.76 | HCRTR1 (0.39) | HRH2ALDH1A1 | |
| SCHEMBL27979462 | 0.75 | HRH2 (0.62) | HRH2HRH3SIGMAR1CHRM2ALDH1A1 | |
| SCHEMBL28231989 | 0.75 | SIGMAR1 (0.46) | SIGMAR1 | |
| SCHEMBL26697674 | 0.74 | SIGMAR1 (0.45) | HRH2SIGMAR1SMN1; SMN2SPHK2 | |
| SCHEMBL18618012 | 0.74 | HRH2 (0.46) | HRH2HRH3SIGMAR1CHRM2ALDH1A1 | |
| SCHEMBL10135637 | 0.74 | ROCK1 (0.46) | HRH3CHRM2ALDH1A1SMN1; SMN2 | |
| SCHEMBL10135624 | 0.74 | ROCK1 (0.46) | HRH3CHRM2ALDH1A1SMN1; SMN2 | |
| SCHEMBL9397176 | 0.74 | CXCR4 (0.71) | HRH3SIGMAR1CHRM2SMN1; SMN2PTGIR |
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-107304204-B | Method for preparing N-heterocyclic compound | 广东东阳光药业有限公司 | 2020-12-22 | — | — | CN | disclosed |