Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 14/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP24A1 | Q07973 | 4/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8068473 | 0.75 | TBXAS1 (0.55) | PKMCYP3A4 | |
| SCHEMBL8070558 | 0.74 | CYP24A1 (0.39) | CYP3A4CYP24A1 | |
| SCHEMBL8070492 | 0.72 | PKM (0.46) | PKM | |
| SCHEMBL8070529 | 0.72 | CYP19A1 (0.45) | — | |
| SCHEMBL8059512 | 0.69 | PKM (0.50) | PKM | |
| SCHEMBL16700855 | 0.69 | CYP17A1 (0.68) | CYP17A1CYP3A4CYP24A1 | |
| Diethylamine SCHEMBL8068847 | 0.69 | PKM (0.52) | PKM | |
| SCHEMBL8059431 | 0.69 | CYP19A1 (0.51) | — | |
| SCHEMBL9784409 | 0.68 | CYP17A1 (0.67) | CYP17A1CYP24A1 | |
| SCHEMBL8172893 | 0.68 | PKM (0.46) | PKMKDM4C |
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-6057322-A | USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-05-02 | — | — | US | disclosed |