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 | |
|---|---|---|---|---|
| SCHEMBL9740520 | 0.72 | CHUK (0.39) | ALDH1A1 | |
| SCHEMBL434102 | 0.68 | GRIN1 (0.40) | ALDH1A1CYP3A4 | |
| SCHEMBL2715277 | 0.64 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL2593530 | 0.64 | CYP3A4 (0.56) | ALDH1A1CYP3A4 | |
| SCHEMBL9740600 | 0.63 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL432990 | 0.61 | HTR2A (0.32) | — | |
| SCHEMBL7289940 | 0.60 | CYP3A4 (0.59) | ALDH1A1CYP3A4 | |
| SCHEMBL432617 | 0.60 | CYP3A4 (0.38) | ALDH1A1CYP3A4 | |
| SCHEMBL4276905 | 0.60 | CYP1A2 (0.46) | — | |
| SCHEMBL4707795 | 0.59 | GRIN2D (0.69) | 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 |
|---|---|---|---|---|---|---|---|
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |