Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7440977 | 0.87 | SIGMAR1 (0.45) | SIGMAR1HTR2ADRD2HTR2CKCNH2 | |
| SCHEMBL8970282 | 0.82 | SIGMAR1 (0.40) | SIGMAR1HTR2ADRD2HTR2CKCNH2 | |
| SCHEMBL19289692 | 0.81 | SIGMAR1 (0.43) | SIGMAR1HTR2ADRD2HTR2CKCNH2 | |
| SCHEMBL8426777 | 0.77 | TRPM8 (0.42) | SIGMAR1HTR2ADRD2CYP2D6TSHR | |
| SCHEMBL8038088 | 0.74 | TSHR (0.43) | SIGMAR1HTR2ACYP2D6TSHRCYP2C19 | |
| SCHEMBL1797048 | 0.74 | SIGMAR1 (0.43) | SIGMAR1HTR2ADRD2HTR2CKCNH2 | |
| SCHEMBL15075010 | 0.74 | SIGMAR1 (0.45) | SIGMAR1HTR2ADRD2HTR2CKCNH2 | |
| SCHEMBL11256078 | 0.72 | SIGMAR1 (0.44) | SIGMAR1HTR2ADRD2HTR2CKCNH2 | |
| SCHEMBL7439505 | 0.71 | SIGMAR1 (0.43) | SIGMAR1HTR2ADRD2HTR2CKCNH2 | |
| SCHEMBL6921400 | 0.71 | SIGMAR1 (0.43) | SIGMAR1HTR2ADRD2HTR2CKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |