Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL234408 | 0.86 | PRKCA (0.37) | CYP1A2PRKCA | |
| SCHEMBL2240463 | 0.86 | PRKCA (0.37) | CYP1A2PRKCA | |
| Hexanoate SCHEMBL28426223 | 0.73 | AKR1B1 (0.50) | CYP1A2CA1CA9 | |
| Palmitic Acid SCHEMBL18247787 | 0.72 | GPR84 (0.52) | CYP1A2CA1CA9 | |
| Octanoic Acid SCHEMBL28375032 | 0.72 | GPR84 (0.52) | CYP1A2CA1CA9 | |
| Valeric Acid SCHEMBL27694073 | 0.71 | CA1 (0.52) | CA1CA9 | |
| SCHEMBL25290831 | 0.71 | PRKCA (0.37) | CYP1A2PRKCA | |
| Propionic Acid SCHEMBL28374077 | 0.71 | CA1 (0.64) | CA1CA9 | |
| Nonane SCHEMBL28396846 | 0.71 | CA1 (0.64) | CYP1A2CA1CA9SIRT2 | |
| Hexane SCHEMBL27827351 | 0.71 | CA1 (0.70) | CYP1A2CA1CA9SIRT2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3332642-A1 | ANTIBACTERIAL PERFUMING COMPOSITION | drom fragrances GmbH & Co. KG (DE) | 2018-06-13 | — | — | EP | claimed |