Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | GRM5 | P41594 | 5/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21246857 | 1.00 | KCNH2 (0.43) | KCNH2GRM5PGK1CHRNA7RORC | |
| SCHEMBL11236538 | 0.92 | GRM5 (0.46) | KCNH2GRM5PGK1CHRNA7RORC | |
| SCHEMBL11246729 | 0.90 | GRM5 (0.49) | KCNH2GRM5CHRNA7RORCCYP1A2 | |
| SCHEMBL9152622 | 0.90 | GRM5 (0.49) | KCNH2GRM5CHRNA7RORCCYP1A2 | |
| SCHEMBL31071600 | 0.87 | KCNH2 (0.38) | KCNH2GRM5CHRNA7 | |
| SCHEMBL21723366 | 0.87 | KCNH2 (0.38) | KCNH2GRM5CHRNA7 | |
| SCHEMBL21723007 | 0.82 | KCNH2 (0.40) | KCNH2GRM5CHRNA7RORCPTGDR2 | |
| SCHEMBL21722921 | 0.79 | RAB9A (0.43) | CHRNA7RORCPTGDR2LMNAFFAR1 | |
| SCHEMBL30707788 | 0.77 | KCNH2 (0.61) | KCNH2GRM5CYP1A2PTGDR2LMNA | |
| SCHEMBL4448140 | 0.77 | KCNH2 (0.61) | KCNH2GRM5CYP1A2PTGDR2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3976009-A2 | BAX INHIBITORS AND USES THEREOF | Case Western Reserve University (US) | 2022-04-06 | — | — | EP | disclosed |