Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRS3 | P32247 | 8/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL21290195 | 0.89 | BRS3 (0.40) | BRS3 | |
| SCHEMBL23956165 | 0.88 | CYP3A4 (0.40) | NPC1RAB9ASMN1; SMN2TP53MAPK1 | |
| SCHEMBL25100887 | 0.86 | RAB9A (0.42) | BRS3NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL25100598 | 0.85 | CYP11B1 (0.42) | BRS3CYP11B1CYP11B2CYP3A4CYP2A6 | |
| SCHEMBL21289928 | 0.85 | BRS3 (0.38) | BRS3NPC1RAB9ACYP11B1CYP11B2 | |
| SCHEMBL25100532 | 0.83 | CYP11B1 (0.42) | BRS3CYP11B1CYP11B2CYP3A4CYP2A6 | |
| SCHEMBL25100925 | 0.83 | CYP11B1 (0.42) | BRS3CYP11B1CYP11B2CYP3A4CYP2A6 | |
| SCHEMBL21290225 | 0.83 | CYP11B1 (0.38) | BRS3CYP11B1CYP11B2CYP3A4P2RX7 | |
| SCHEMBL21289765 | 0.82 | PDK1 (0.40) | BRS3ESR1ESR2 | |
| SCHEMBL25100939 | 0.82 | WNT3A (0.39) | BRS3NPC1RAB9ASMN1; SMN2TP53 |
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 |