Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 17/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25002355 | 0.83 | ESR1 (0.44) | ESR1KCNH2 | |
| SCHEMBL20447842 | 0.82 | SLC6A4 (0.44) | ESR1GRIN1GRIN2B | |
| SCHEMBL23127374 | 0.80 | ESR1 (0.40) | ESR1 | |
| SCHEMBL20165492 | 0.78 | SLC6A4 (0.42) | GRIN1GRIN2B | |
| SCHEMBL25001229 | 0.78 | ESR1 (0.44) | ESR1KCNH2 | |
| SCHEMBL21266009 | 0.76 | ESR1 (0.55) | ESR1 | |
| SCHEMBL29001700 | 0.76 | ESR1 (0.45) | ESR1 | |
| SCHEMBL31465555 | 0.76 | ESR1 (0.45) | ESR1 | |
| SCHEMBL20176333 | 0.75 | SLC6A4 (0.38) | GRIN1GRIN2B | |
| SCHEMBL23127376 | 0.74 | ESR1 (0.40) | ESR1KCNH2 |
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-3440067-B1 | TETRAHYDROISOQUINOLINE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2021-05-26 | — | — | EP | disclosed |
| WO-2016097072-A1 | TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-23 | — | — | WO | disclosed |