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 | |
|---|---|---|---|---|
| SCHEMBL350877 | 0.77 | CYP2D6 (0.46) | CYP2D6CYP2C19 | |
| SCHEMBL7110643 | 0.75 | CYP2D6 (0.45) | CYP2D6CYP2C19 | |
| SCHEMBL7106278 | 0.75 | CYP2D6 (0.42) | CYP2D6CYP2C19 | |
| SCHEMBL19159410 | 0.73 | CYP2D6 (0.43) | CYP2D6CYP2C19 | |
| SCHEMBL202929 | 0.73 | CYP2D6 (0.43) | CYP2D6CYP2C19 | |
| SCHEMBL32688968 | 0.72 | CYP2D6 (0.42) | CYP2D6CYP2C19 | |
| SCHEMBL11265228 | 0.71 | CYP2D6 (0.41) | CYP2D6CYP2C19 | |
| SCHEMBL11539432 | 0.70 | CYP2D6 (0.38) | CYP2D6CYP2C19 | |
| SCHEMBL11078266 | 0.70 | CYP2D6 (0.39) | CYP2D6CYP2C19 | |
| SCHEMBL11245869 | 0.70 | CYP2D6 (0.39) | CYP2D6CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4151309-A | FOODS, CHEWING GUM, DENTIFRICES, DRUGS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-04-24 | — | — | US | disclosed |
| US-4148826-A | PERFUMES, FLAVORS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-04-10 | — | — | US | disclosed |
| US-4136120-A | GRIGNARD REACTION, CHELATION, HYDROLYSIS, DEHYDRATION | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-01-23 | — | — | US | disclosed |
| US-4076853-A | Flavoring with substituted norbornane derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-02-28 | — | — | US | disclosed |