Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | RAF1 | P04049 | 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 | |
|---|---|---|---|---|
| SCHEMBL29955978 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2C19CYP2D6PKMAPP | |
| SCHEMBL10175092 | 0.78 | CYP11B2 (0.38) | — | |
| SCHEMBL3512146 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL3512242 | 0.74 | APP (0.33) | APP | |
| SCHEMBL3511588 | 0.74 | APP (0.33) | APP | |
| SCHEMBL429736 | 0.72 | CYP11B2 (0.41) | — | |
| SCHEMBL29955705 | 0.72 | CYP1A2 (0.36) | CYP1A2CYP2C19CYP2D6PKM | |
| SCHEMBL29950904 | 0.72 | CYP1A2 (0.36) | CYP1A2CYP2C19CYP2D6PKM | |
| SCHEMBL17820460 | 0.71 | CYP11B2 (0.36) | APP | |
| SCHEMBL434088 | 0.70 | APP (0.40) | APP |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |