Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 7/20 | 0.71 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.71 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.63 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.60 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.60 |
| ▸ | G6PD | P11413 | 2/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10698961 | 0.86 | GRIN1 (0.68) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL11667307 | 0.86 | GRIN1 (0.68) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL18541401 | 0.81 | GRIN1 (0.82) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL16802271 | 0.81 | GRIN1 (0.61) | GRIN1GRIN2BG6PDSRD5A2 | |
| SCHEMBL2553929 | 0.81 | GRIN1 (0.82) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL14877050 | 0.81 | GRIN1 (0.82) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL19733241 | 0.79 | GRIN1 (0.83) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL19253215 | 0.79 | GRIN1 (0.83) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL19253287 | 0.79 | GRIN1 (0.83) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL4931770 | 0.78 | GRIN1 (0.70) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0955049-B1 | 6 Beta-Hydroxy - 6 alpha, 17 alpha - dimethylpregn - 4 - ene - 3,20 - dione, as an inhibitor of smooth muscle proliferation | WYETH CORP (US) | 2004-06-16 | — | — | EP | disclosed |
| EP-0680970-B1 | Medrogestone | AMERICAN HOME PROD (US) | 2000-11-29 | — | — | EP | disclosed |
| EP-0680970-A2 | Medrogestrone | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-11-08 | — | — | EP | disclosed |