Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27424650 | 0.83 | HRH3 (0.55) | HRH3SIGMAR1MEN1KMT2AKCNH2 | |
| SCHEMBL27335891 | 0.83 | HRH3 (0.55) | HRH3SIGMAR1MEN1KMT2AKCNH2 | |
| SCHEMBL7446651 | 0.82 | CYP2D6 (0.50) | HRH3CYP2D6SIGMAR1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27405509 | 0.82 | HRH3 (0.54) | HRH3SIGMAR1KCNH2CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL27476351 | 0.82 | HRH3 (0.54) | HRH3SIGMAR1KCNH2CHRNB4CHRNA3 | |
| SCHEMBL8702137 | 0.81 | HRH3 (0.53) | HRH3SIGMAR1MEN1KMT2AKCNH2 | |
| Hydrochloric Acid SCHEMBL27425800 | 0.80 | HRH3 (0.52) | HRH3SIGMAR1KCNH2CHRNB4CHRNA3 | |
| SCHEMBL23886286 | 0.79 | CYP2D6 (0.53) | CYP2D6SIGMAR1KCNH2CHRM2CHRM1 | |
| SCHEMBL13452420 | 0.79 | HRH3 (0.51) | HRH3CYP2D6SIGMAR1KCNH2CHRM2 | |
| SCHEMBL11370824 | 0.78 | CHRNB4 (0.65) | HRH3CYP2D6SIGMAR1CHRNB4CHRNA3 |
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-2008118758-A1 | INHIBITORS OF ION CHANNELS | ICAGEN, INC. (GB) | 2008-10-02 | — | — | WO | disclosed |