Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 5/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.39 |
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | SHBG | P04278 | 2/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.31 |
| ▸ | GABRD | O14764 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL374356 | 0.97 | GRIN1 (0.55) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL7353210 | 0.97 | GRIN1 (0.55) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| Charcoal, Activated SCHEMBL4630579 | 0.95 | GRIN1 (0.53) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| Propane SCHEMBL27462424 | 0.92 | GRIN1 (0.51) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL30645499 | 0.79 | GRIN1 (0.58) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL6853527 | 0.78 | GRIN1 (0.68) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL13007746 | 0.78 | GRIN1 (0.60) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL133513 | 0.78 | GRIN1 (0.60) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL4834976 | 0.78 | GRIN1 (0.56) | GRIN1GRIN2BCDK5CDK5R1NR1I3 | |
| SCHEMBL22018389 | 0.78 | GRIN1 (0.60) | GRIN1GRIN2BCDK5CDK5R1NR1I3 |
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-0994713-B1 | USE OF A 7alpha-METHYL-17alpha-ETHYNYL-ESTRANE DERIVATIVE FOR THE TREATMENT OF ATHEROSCLEROSIS | AKZO NOBEL NV (NL) | 2003-11-05 | — | — | EP | disclosed |
| EP-0994713-A1 | USE OF A 7$g(a)-METHYL-17$g(a)-ETHYNYL-ESTRANE DERIVATIVE FOR THE TREATMENT OF ATHEROSCLEROSIS | Akzo Nobel N.V. (NL) | 2000-04-26 | — | — | EP | disclosed |