Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.31 |
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27581778 | 0.96 | CYP19A1 (0.33) | CYP19A1CDK5CDK5R1NR1I3MBOAT4 | |
| SCHEMBL28117670 | 0.79 | LIPA (0.30) | — | |
| SCHEMBL31008466 | 0.76 | MAPT (0.42) | — | |
| SCHEMBL27911746 | 0.74 | CDK5 (0.44) | CYP19A1CDK5CDK5R1NR1I3MBOAT4 | |
| SCHEMBL28952935 | 0.72 | MAPT (0.42) | — | |
| SCHEMBL283840 | 0.70 | CDK5 (0.35) | CDK5CDK5R1NR1I3MBOAT4GRIN1 | |
| SCHEMBL27477684 | 0.68 | NR1I3 (0.40) | CDK5CDK5R1NR1I3GRIN1GRIN2B | |
| SCHEMBL9843552 | 0.68 | — | — | |
| SCHEMBL12432300 | 0.68 | ESR1 (0.41) | CYP19A1 | |
| SCHEMBL28220410 | 0.68 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1157818-A | 1 alpha, 26-dihydroxy-D-homo-vitamin D3 | HOFFMANN LA ROCHE (CH) | 1997-08-27 | — | — | CN | disclosed |