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 | |
|---|---|---|---|---|
| SCHEMBL8097150 | 0.79 | CYP2D6 (0.36) | CYP2D6CYP2C19 | |
| SCHEMBL3167061 | 0.71 | — | — | |
| Acetic Acid SCHEMBL17110506 | 0.70 | CYP2C19 (0.36) | CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL17004483 | 0.69 | — | — | |
| SCHEMBL5025144 | 0.65 | — | — | |
| SCHEMBL3061647 | 0.65 | — | — | |
| SCHEMBL2597884 | 0.64 | CYP2D6 (0.39) | CYP2D6CYP2C19 | |
| Guanidino Acetate SCHEMBL28033627 | 0.64 | EGLN1 (0.40) | CYP2C19 | |
| SCHEMBL6685524 | 0.64 | — | — | |
| SCHEMBL13760604 | 0.63 | — | — |
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-2018077923-A1 | 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH | BAYER AKTIENGESELLSCHAFT (DE) | 2018-05-03 | — | — | WO | disclosed |