Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL19731647 | 0.80 | CCL5 (0.31) | — | |
| SCHEMBL19734482 | 0.80 | CCL5 (0.31) | — | |
| SCHEMBL19731725 | 0.78 | HTR2A (0.37) | — | |
| SCHEMBL19731754 | 0.78 | HTR2A (0.37) | — | |
| SCHEMBL19734479 | 0.75 | SIGMAR1 (0.33) | — | |
| SCHEMBL19734530 | 0.69 | SLC6A4 (0.56) | KCNH2 | |
| SCHEMBL17858899 | 0.69 | ESR1 (0.42) | ESR1KCNH2 | |
| SCHEMBL19731812 | 0.67 | ESR1 (0.38) | ESR1 | |
| SCHEMBL19734728 | 0.67 | DPP4 (0.41) | — | |
| SCHEMBL30608909 | 0.66 | ESR1 (0.41) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017216280-A1 | TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-12-21 | — | — | WO | disclosed |