Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.43 |
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9110720 | 0.86 | NR1I3 (0.48) | CDK5CDK5R1NR1I3MBOAT4GRIN1 | |
| SCHEMBL15549709 | 0.86 | NR1I3 (0.48) | CDK5CDK5R1NR1I3MBOAT4GRIN1 | |
| SCHEMBL8712727 | 0.84 | CDK5 (0.41) | CDK5CDK5R1NR1I3MBOAT4GRIN1 | |
| SCHEMBL7609110 | 0.83 | GRIN1 (0.45) | CDK5CDK5R1NR1I3MBOAT4GRIN1 | |
| SCHEMBL9547062 | 0.83 | GRIN1 (0.45) | CDK5CDK5R1NR1I3MBOAT4GRIN1 | |
| SCHEMBL9185884 | 0.82 | CDK5 (0.42) | CDK5CDK5R1NR1I3MBOAT4GRIN1 | |
| SCHEMBL8710575 | 0.82 | GRIN1 (0.43) | CDK5CDK5R1NR1I3MBOAT4GRIN1 | |
| SCHEMBL8707760 | 0.82 | GRIN1 (0.42) | CDK5CDK5R1NR1I3MBOAT4GRIN1 | |
| SCHEMBL8019796 | 0.80 | GRIN1 (0.43) | CDK5CDK5R1NR1I3MBOAT4GRIN1 | |
| SCHEMBL8710564 | 0.79 | MBOAT4 (0.38) | CDK5CDK5R1NR1I3MBOAT4GRIN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993023039-A1 | SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |