Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 7/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.50 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23451225 | 0.79 | NR1I3 (0.47) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL9391373 | 0.79 | GRIN1 (0.44) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL374356 | 0.77 | GRIN1 (0.55) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL7353210 | 0.77 | GRIN1 (0.55) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| Charcoal, Activated SCHEMBL4630579 | 0.76 | GRIN1 (0.53) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL22018389 | 0.76 | GRIN1 (0.60) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL133513 | 0.76 | GRIN1 (0.60) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL13007746 | 0.76 | GRIN1 (0.60) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL6812629 | 0.76 | GRIN1 (0.60) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL30594019 | 0.75 | NR1I3 (0.42) | GRIN1GRIN2BNR1I3CDK5CDK5R1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0227813-B1 | 11-BETA-NITRATE-SUBSTITUTED ESTRANES | SRI INTERNATIONAL (US) | 1991-10-02 | — | — | EP | disclosed |