Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 16/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18249574 | 0.73 | SLC6A4 (0.39) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL15793901 | 0.73 | SLC6A4 (0.67) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL1528779 | 0.73 | SLC6A4 (0.36) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL1528862 | 0.72 | SLC6A3 (0.44) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL1528938 | 0.71 | SLC6A4 (0.35) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL1528623 | 0.71 | SLC6A4 (0.35) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL1500615 | 0.70 | SLC6A2 (0.35) | SLC6A4SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL15794108 | 0.70 | SLC6A4 (0.97) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL15794054 | 0.70 | SLC6A4 (0.97) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL5727822 | 0.69 | SLC6A2 (0.37) | SLC6A4SLC6A2SLC6A3KCNH2 |
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 |