Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | TACR2 | P21452 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10965254 | 1.00 | KCNH2 (0.35) | KCNH2PTGS2CHRM2CHRM5CHRM1 | |
| SCHEMBL10964530 | 1.00 | KCNH2 (0.35) | KCNH2PTGS2CHRM2CHRM5CHRM1 | |
| SCHEMBL10964682 | 1.00 | KCNH2 (0.35) | KCNH2PTGS2CHRM2CHRM5CHRM1 | |
| SCHEMBL10963694 | 1.00 | KCNH2 (0.35) | KCNH2PTGS2CHRM2CHRM5CHRM1 | |
| SCHEMBL10962753 | 1.00 | KCNH2 (0.35) | KCNH2PTGS2CHRM2CHRM5CHRM1 | |
| SCHEMBL10961893 | 1.00 | KCNH2 (0.35) | KCNH2PTGS2CHRM2CHRM5CHRM1 | |
| SCHEMBL10960835 | 1.00 | KCNH2 (0.35) | KCNH2PTGS2CHRM2CHRM5CHRM1 | |
| SCHEMBL10962438 | 1.00 | KCNH2 (0.35) | KCNH2PTGS2CHRM2CHRM5CHRM1 | |
| SCHEMBL10962416 | 1.00 | KCNH2 (0.35) | KCNH2PTGS2CHRM2CHRM5CHRM1 | |
| SCHEMBL10964408 | 1.00 | KCNH2 (0.35) | KCNH2PTGS2CHRM2CHRM5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5382665-A | Synthesis of oxazolines and oxazines | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1995-01-17 | — | — | US | disclosed |