Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | BRS3 | P32247 | 4/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | NMBR | P28336 | 1/20 | 0.37 |
| ▸ | GRPR | P30550 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL25100976 | 0.95 | CYP11B1 (0.42) | CYP11B1CYP11B2CYP3A4BRS3FAAH | |
| SCHEMBL26550035 | 0.91 | TGFBR1 (0.39) | CYP11B1CYP11B2BRS3FFAR1NR1I2 | |
| SCHEMBL21290071 | 0.90 | FFAR1 (0.43) | CYP11B1CYP11B2BRS3FFAR1NR1I2 | |
| SCHEMBL21290404 | 0.90 | FFAR1 (0.43) | CYP11B1CYP11B2BRS3FFAR1NR1I2 | |
| SCHEMBL26550009 | 0.89 | TGFBR1 (0.39) | CYP11B1CYP11B2BRS3FFAR1NR1I2 | |
| SCHEMBL23956272 | 0.89 | CYP3A4 (0.43) | CYP11B1CYP11B2CYP3A4CYP2A6TGFBR1 | |
| SCHEMBL26550027 | 0.89 | FFAR1 (0.44) | BRS3FFAR1NR1I2NMBRGRPR | |
| SCHEMBL26550067 | 0.89 | GRM5 (0.38) | CYP11B1BRS3NR1I2NMBRGRPR | |
| SCHEMBL25100939 | 0.89 | WNT3A (0.39) | CYP11B1CYP11B2CYP3A4BRS3FFAR1 | |
| SCHEMBL25100532 | 0.88 | CYP11B1 (0.42) | CYP11B1CYP11B2CYP3A4BRS3FAAH |
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 |