Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.69 |
| ▸ | ABL1 | P00519 | 10/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.46 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22430121 | 1.00 | AHR (0.69) | AHRABL1OPRM1KCNH2CYP11B1 | |
| SCHEMBL22392128 | 0.86 | AHR (0.51) | AHRABL1OPRM1SCN2ASCN10A | |
| SCHEMBL22392129 | 0.86 | AHR (0.51) | AHRABL1OPRM1SCN2ASCN10A | |
| SCHEMBL22429616 | 0.85 | AHR (0.71) | AHRABL1OPRM1KCNH2CYP11B1 | |
| SCHEMBL26294114 | 0.82 | AHR (0.63) | AHRABL1OPRM1KCNH2CYP11B1 | |
| SCHEMBL26294134 | 0.82 | AHR (0.63) | AHRABL1OPRM1KCNH2CYP11B1 | |
| SCHEMBL21001700 | 0.82 | AHR (0.50) | AHRABL1SCN2ASCN10ACFTR | |
| SCHEMBL21001702 | 0.82 | AHR (1.00) | AHRABL1OPRM1KCNH2CYP11B1 | |
| SCHEMBL21001701 | 0.82 | AHR (1.00) | AHRABL1OPRM1KCNH2CYP11B1 | |
| SCHEMBL22430183 | 0.82 | AHR (1.00) | AHRABL1OPRM1KCNH2CYP11B1 |
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-3713926-B1 | 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS | BAYER AG (DE) | 2023-06-07 | — | — | EP | disclosed |