Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.35 |
| ▸ | WNT3A | P56704 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.33 |
| ▸ | FEN1 | P39748 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL23956171 | 0.90 | ALOX5AP (0.37) | DGAT1PPARDALOX5APFEN1 | |
| SCHEMBL25100894 | 0.87 | CHRM5 (0.40) | CHRM5SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL21289927 | 0.85 | KDM1A (0.43) | SMN1; SMN2NPC1RAB9ATP53CYP11B1 | |
| SCHEMBL25100796 | 0.84 | CHRM5 (0.39) | CHRM5SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL25100897 | 0.84 | PTGS2 (0.33) | CHRM5CYP11B1CYP11B2CYP3A4PPARD | |
| SCHEMBL25100892 | 0.83 | PTGS2 (0.35) | CHRM5CYP11B1CYP11B2CYP3A4PPARD | |
| SCHEMBL25100950 | 0.82 | CHRM5 (0.36) | CHRM5CYP11B1CYP11B2WNT3ACYP3A4 | |
| SCHEMBL25100567 | 0.81 | FFAR1 (0.35) | CHRM5DGAT1ALOX5APFEN1KDM4E | |
| SCHEMBL25100893 | 0.81 | BRS3 (0.36) | WNT3A | |
| SCHEMBL21290203 | 0.79 | CYP11B1 (0.43) | SMN1; SMN2NPC1RAB9ATP53CYP11B1 |
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-3752512-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-03-01 | — | — | EP | disclosed |