Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | PSD | A5PKW4 | 3/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 4/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23925516 | 1.00 | KCNH2 (0.54) | KCNH2CYP2C9ALOX5CHRM1CNR1 | |
| SCHEMBL25463136 | 1.00 | KCNH2 (0.54) | KCNH2CYP2C9ALOX5CHRM1CNR1 | |
| SCHEMBL23925562 | 0.89 | KCNH2 (0.51) | KCNH2CYP2C9ALOX5CHRM1PIM1 | |
| SCHEMBL23950665 | 0.89 | KCNH2 (0.51) | KCNH2CYP2C9ALOX5CHRM1PIM1 | |
| SCHEMBL23925444 | 0.89 | KCNH2 (0.51) | KCNH2CYP2C9ALOX5CHRM1PIM1 | |
| SCHEMBL23390220 | 0.88 | KCNH2 (0.41) | KCNH2CYP2C9ALOX5CHRM1CNR1 | |
| SCHEMBL23390140 | 0.88 | KCNH2 (0.41) | KCNH2CYP2C9ALOX5CHRM1PSD | |
| SCHEMBL23390155 | 0.88 | KCNH2 (0.41) | KCNH2CYP2C9ALOX5CHRM1CNR1 | |
| SCHEMBL23390160 | 0.88 | KCNH2 (0.41) | KCNH2CYP2C9ALOX5CHRM1CNR1 | |
| SCHEMBL23390314 | 0.88 | KCNH2 (0.41) | KCNH2CYP2C9ALOX5CHRM1CNR1 |
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-2021210970-A1 | PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS | DONG-A ST CO., LTD. (KR) | 2021-10-21 | — | — | WO | disclosed |