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 | |
|---|---|---|---|---|
| SCHEMBL14533550 | 0.92 | ALDH1A1 (0.52) | ALDH1A1PDE4A | |
| SCHEMBL12360987 | 0.92 | ALDH1A1 (0.52) | ALDH1A1PDE4A | |
| SCHEMBL10029791 | 0.92 | ALDH1A1 (0.52) | ALDH1A1PDE4A | |
| SCHEMBL5125852 | 0.92 | ALDH1A1 (0.52) | ALDH1A1PDE4A | |
| SCHEMBL12866832 | 0.92 | ALDH1A1 (0.52) | ALDH1A1PDE4A | |
| SCHEMBL860505 | 0.92 | — | — | |
| SCHEMBL16137665 | 0.92 | ALDH1A1 (0.52) | ALDH1A1PDE4A | |
| SCHEMBL1928641 | 0.89 | — | — | |
| SCHEMBL1930515 | 0.83 | — | — | |
| SCHEMBL24473252 | 0.80 | ALDH1A1 (0.33) | ALDH1A1 |
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-2018030550-A1 | HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-02-15 | — | — | WO | disclosed |