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 | |
|---|---|---|---|---|
| SCHEMBL3536905 | 0.97 | CYP1A2 (0.41) | CYP1A2CYP2D6 | |
| SCHEMBL14087643 | 0.95 | CYP1A2 (0.38) | CYP1A2CYP2D6 | |
| SCHEMBL11854434 | 0.92 | CYP1A2 (0.37) | CYP1A2CYP2D6 | |
| SCHEMBL18884278 | 0.92 | CYP1A2 (0.37) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11856365 | 0.90 | CYP1A2 (0.40) | CYP1A2CYP2D6 | |
| SCHEMBL19052675 | 0.82 | — | — | |
| SCHEMBL17454609 | 0.78 | CYP1A2 (0.36) | CYP1A2CYP2D6 | |
| SCHEMBL13633149 | 0.77 | ALDH1A1 (0.33) | CYP1A2CYP2D6 | |
| SCHEMBL8344707 | 0.77 | ALDH1A1 (0.33) | CYP1A2CYP2D6 | |
| SCHEMBL6363971 | 0.77 | CYP2D6 (0.33) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0189662-B1 | NOVEL DIPHOSPHONATES AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1989-09-06 | — | — | EP | disclosed |