Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.61 |
| ▸ | HTR1A | P08908 | 7/20 | 0.58 |
| ▸ | DRD2 | P14416 | 4/20 | 0.58 |
| ▸ | DRD3 | P35462 | 2/20 | 0.58 |
| ▸ | HTR2A | P28223 | 2/20 | 0.58 |
| ▸ | HRH1 | P35367 | 1/20 | 0.58 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9006349 | 0.90 | KCNH2 (0.62) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL5988317 | 0.84 | KCNH2 (0.88) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL27602711 | 0.83 | KCNH2 (0.69) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL4528457 | 0.82 | KCNH2 (1.00) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL27407514 | 0.82 | KCNH2 (0.67) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL155128 | 0.81 | SIGMAR1 (0.79) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL2090629 | 0.81 | KCNH2 (0.76) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL9041083 | 0.80 | KCNH2 (0.80) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL2091821 | 0.79 | KCNH2 (0.79) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL175992 | 0.79 | CHRNA7 (0.58) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 |
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-2022094420-A1 | SELECTIVE TRANSITION METAL CATALYZED DEUTERIUM INCORPORATION INTO ALKYNE AND ALKENE FUNCTIONALITIES | MARQUETTE UNIVERSITY (US) | 2022-05-05 | — | — | WO | disclosed |