Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 6/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3996133 | 0.83 | SHBG (0.44) | GRIN1GRIN2BGRIN2ASHBGPOLB | |
| SCHEMBL6899628 | 0.83 | GRIN1 (0.53) | GRIN1GRIN2BGRIN2A | |
| SCHEMBL32677686 | 0.79 | SHBG (0.44) | GRIN1GRIN2BGRIN2ASHBGCYP19A1 | |
| SCHEMBL32677691 | 0.79 | SHBG (0.44) | GRIN1GRIN2BGRIN2ASHBGCYP19A1 | |
| SCHEMBL9853331 | 0.77 | SHBG (0.40) | GRIN1GRIN2BGRIN2ASHBGPOLB | |
| SCHEMBL4448019 | 0.77 | SHBG (0.41) | SHBGCYP19A1CYP17A1 | |
| SCHEMBL9843553 | 0.76 | CYP19A1 (0.35) | GRIN1GRIN2BSHBGCYP19A1 | |
| SCHEMBL8707387 | 0.76 | TDP1 (0.43) | SHBGPOLBMAPTCYP19A1CYP17A1 | |
| SCHEMBL1418483 | 0.75 | CYP19A1 (0.44) | SHBGCYP19A1CYP17A1 | |
| SCHEMBL5331298 | 0.75 | ABCC4 (0.44) | GRIN1GRIN2BGRIN2APOLBMAPT |
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-0288053-A1 | C17-20 lyase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-10-26 | — | — | EP | claimed |
| WO-2003027107-A1 | SUBSTITUTED 3-PYRIDYL OXAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |
| EP-0413270-A2 | 4-substituted 17beta-(cyclopropylamino)androst-5-en-3beta-ol and related compounds useful as C17-20 lyase inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1991-02-20 | — | — | EP | disclosed |