Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 2/20 | 0.30 |
| ▸ | AR | P10275 | 2/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5320301 | 0.80 | GRIN1 (0.40) | GRIN1GRIN2BCYP3A4 | |
| SCHEMBL7878122 | 0.80 | GRIN1 (0.40) | GRIN1GRIN2BCYP3A4ALDH1A1NR1I3 | |
| SCHEMBL8639692 | 0.80 | GRIN1 (0.40) | GRIN1GRIN2BCYP3A4ALDH1A1NR1I3 | |
| SCHEMBL7889094 | 0.79 | GRIN1 (0.36) | GRIN1GRIN2BCYP3A4CYP19A1 | |
| SCHEMBL7878123 | 0.71 | GRIN1 (0.38) | GRIN1GRIN2BCYP3A4ALDH1A1NR1I3 | |
| SCHEMBL7878120 | 0.71 | GRIN1 (0.38) | GRIN1GRIN2BCYP3A4ALDH1A1NR1I3 | |
| SCHEMBL22072807 | 0.70 | GRIN1 (0.42) | GRIN1GRIN2BCYP19A1 | |
| SCHEMBL6820039 | 0.70 | GRIN1 (0.42) | GRIN1GRIN2BCYP3A4CYP19A1 | |
| SCHEMBL10710834 | 0.68 | CYP3A4 (0.38) | GRIN1GRIN2BCYP3A4CYP17A1CYP19A1 | |
| SCHEMBL4385665 | 0.68 | GRIN1 (0.42) | GRIN1GRIN2BCYP19A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6180803-B1 | STEROID DRUGS | LABORATOIRE THERAMEX (MC) | 2001-01-30 | — | — | US | disclosed |
| EP-0886645-B1 | NEW 19-NOR-PREGNENE DERIVATIVES | THERAMEX (MC) | 1999-09-01 | — | — | EP | disclosed |
| WO-1997027209-A1 | NEW SUBSTITUTED 19-NOR-PREGNANE DERIVATIVES | LABORATOIRE THERAMEX (MC) | 1997-07-31 | — | — | WO | disclosed |
| EP-0785212-A1 | New 19-nor-pregnene derivatives | LABORATOIRE THERAMEX (MC) | 1997-07-23 | — | — | EP | disclosed |
| EP-0785211-A1 | New substituted 19-nor-pregnane derivatives | LABORATOIRE THERAMEX (MC) | 1997-07-23 | — | — | EP | disclosed |