Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 16/20 | 0.60 |
| ▸ | KIF11 | P52732 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23794112 | 0.90 | ESR1 (0.74) | ESR1CYP3A4KCNH2 | |
| SCHEMBL20193766 | 0.86 | ESR1 (0.56) | ESR1KIF11CYP3A4KCNH2 | |
| SCHEMBL17858897 | 0.86 | ESR1 (0.56) | ESR1KIF11CYP3A4KCNH2 | |
| SCHEMBL17839257 | 0.86 | ESR1 (0.82) | ESR1CYP3A4KCNH2 | |
| SCHEMBL23186414 | 0.86 | ESR1 (0.82) | ESR1CYP3A4KCNH2 | |
| SCHEMBL17839719 | 0.86 | ESR1 (0.82) | ESR1CYP3A4KCNH2 | |
| SCHEMBL23722697 | 0.85 | ESR1 (0.57) | ESR1CYP3A4KCNH2 | |
| SCHEMBL23722472 | 0.85 | ESR1 (0.57) | ESR1CYP3A4KCNH2 | |
| SCHEMBL22213701 | 0.85 | ESR1 (0.57) | ESR1CYP3A4KCNH2 | |
| SCHEMBL22881884 | 0.85 | ESR1 (0.62) | ESR1 |
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-3760623-A1 | TETRAHYDRO-PYRIDO[3,4-B]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2021-01-06 | — | — | EP | disclosed |
| EP-3233852-B1 | TETRAHYDRO-PYRIDO[3,4-B]INDOLES AS ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-07-15 | — | — | EP | disclosed |