Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3926924 | 0.90 | SIGMAR1 (0.47) | SIGMAR1DRD2HTR2ATRPM8ADRA1D | |
| SCHEMBL2023897 | 0.85 | MAOA (0.42) | SIGMAR1DRD2HTR2AMAOAMAOB | |
| SCHEMBL11884586 | 0.76 | SIGMAR1 (0.41) | SIGMAR1DRD2HTR2ATRPM8ADRA1D | |
| SCHEMBL21346943 | 0.75 | AKT1 (0.46) | SIGMAR1DRD2HTR2ATRPM8EPHX2 | |
| SCHEMBL10744650 | 0.73 | SIGMAR1 (0.49) | SIGMAR1DRD2HTR2ATRPM8ADRA1D | |
| SCHEMBL6467973 | 0.73 | SIGMAR1 (0.45) | SIGMAR1DRD2HTR2ATRPM8ADRA1D | |
| SCHEMBL3113866 | 0.73 | SIGMAR1 (0.45) | SIGMAR1DRD2HTR2ATRPM8ADRA1D | |
| SCHEMBL3560241 | 0.73 | SIGMAR1 (0.57) | SIGMAR1DRD2HTR2ATRPM8ADRA1D | |
| SCHEMBL462820 | 0.73 | SIGMAR1 (0.45) | SIGMAR1DRD2HTR2ATRPM8ADRA1D | |
| SCHEMBL29736073 | 0.73 | SIGMAR1 (0.45) | SIGMAR1DRD2HTR2ATRPM8ADRA1D |
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-113354655-B | Bis-benzo [5,6] spiroketal compound and preparation method thereof | 威胜生物医药(苏州)股份有限公司 | 2022-12-13 | — | — | CN | disclosed |