Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 11/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 11/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL25100941 | 0.94 | CYP11B1 (0.46) | CYP11B1CYP11B2IDO1TDO2CYP3A4 | |
| SCHEMBL21290350 | 0.90 | CYP11B1 (0.44) | CYP11B1CYP11B2WNT3AHSD17B1HSD17B2 | |
| SCHEMBL21290201 | 0.90 | CYP11B1 (0.44) | CYP11B1CYP11B2WNT3AHSD17B1HSD17B2 | |
| SCHEMBL21290097 | 0.90 | CYP11B1 (0.46) | CYP11B1CYP11B2WNT3ACYP3A4PDCD1 | |
| SCHEMBL21290202 | 0.89 | CYP11B1 (0.48) | CYP11B1CYP11B2WNT3AHSD17B1HSD17B2 | |
| SCHEMBL23956280 | 0.85 | HSD17B1 (0.51) | CYP11B1CYP11B2IDO1TDO2HSD17B1 | |
| SCHEMBL25100908 | 0.85 | HSD17B1 (0.45) | CYP11B1CYP11B2HSD17B1HSD17B2PDCD1 | |
| SCHEMBL21289938 | 0.85 | CYP11B1 (0.42) | CYP11B1CYP11B2IDO1TDO2WNT3A | |
| SCHEMBL25100599 | 0.84 | CYP11B1 (0.48) | CYP11B1CYP11B2CYP3A4PDCD1CD274 | |
| SCHEMBL21290098 | 0.84 | CYP11B1 (0.48) | CYP11B1CYP11B2CYP3A4PDCD1CD274 |
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 |