Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | BRS3 | P32247 | 10/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL23956294 | 0.89 | LDHA (0.40) | CYP11B1CYP11B2CYP3A4LDHAMEN1 | |
| SCHEMBL25100598 | 0.88 | CYP11B1 (0.42) | CYP11B1CYP11B2CYP3A4BRS3LDHA | |
| SCHEMBL25100976 | 0.86 | CYP11B1 (0.42) | CYP11B1CYP11B2CYP3A4BRS3MEN1 | |
| SCHEMBL25100532 | 0.86 | CYP11B1 (0.42) | CYP11B1CYP11B2CYP3A4BRS3MEN1 | |
| SCHEMBL25100925 | 0.86 | CYP11B1 (0.42) | CYP11B1CYP11B2CYP3A4BRS3MEN1 | |
| SCHEMBL25100594 | 0.84 | CYP11B1 (0.42) | CYP11B1CYP11B2CYP3A4LDHAPDCD1 | |
| SCHEMBL21290192 | 0.83 | BRS3 (0.38) | CYP11B1CYP11B2CYP3A4BRS3CYP2A6 | |
| SCHEMBL25100830 | 0.82 | CYP11B1 (0.38) | CYP11B1CYP11B2CYP3A4BRS3MEN1 | |
| SCHEMBL21289928 | 0.81 | BRS3 (0.38) | CYP11B1CYP11B2CYP3A4BRS3 | |
| SCHEMBL25100887 | 0.78 | RAB9A (0.42) | CYP11B1CYP11B2CYP3A4BRS3MEN1 |
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 2 patents. 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 |
| WO-2019158453-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-08-22 | — | — | WO | disclosed |