Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6849346 | 0.75 | CYP2C19 (0.54) | CYP2C19 | |
| SCHEMBL29283618 | 0.70 | CYP2C19 (0.40) | CYP2C19 | |
| SCHEMBL10455724 | 0.68 | CYP2C19 (0.47) | CYP2C19 | |
| SCHEMBL29046149 | 0.68 | CYP2C19 (0.47) | CYP2C19 | |
| SCHEMBL16618063 | 0.65 | KDM4E (0.33) | LMNAMAPT | |
| SCHEMBL4047185 | 0.62 | — | — | |
| SCHEMBL1100011 | 0.62 | — | — | |
| SCHEMBL744298 | 0.59 | — | — | |
| SCHEMBL10454809 | 0.58 | — | — | |
| SCHEMBL20079635 | 0.58 | — | — |
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-8163944-B2 | Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions | UNIVERSITY OF MARYLAND COLLEGE PARK (US) | 2012-04-24 | — | — | US | disclosed |