Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | DGKA | P23743 | 1/20 | 0.38 |
| ▸ | PAM | P19021 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31298521 | 0.95 | CYP19A1 (0.41) | ALDH1A1CYP19A1DGKAPAMMAPK1 | |
| Butyric Acid SCHEMBL28643324 | 0.89 | FFAR3 (0.42) | ALDH1A1CYP19A1DGKAMAPK1FFAR3 | |
| Butyric Acid SCHEMBL5140513 | 0.88 | FFAR3 (0.48) | ALDH1A1CYP19A1DGKAPAMMAPK1 | |
| SCHEMBL112594 | 0.88 | DGKA (0.47) | ALDH1A1CYP19A1DGKAMAPK1NAAA | |
| Propionic Acid SCHEMBL28659810 | 0.83 | DGKA (0.59) | ALDH1A1DGKAPAMNAAATDP1 | |
| Butyric Acid SCHEMBL28136017 | 0.82 | DGKA (0.44) | ALDH1A1CYP19A1DGKAPAMFFAR3 | |
| Hexanoate SCHEMBL28638088 | 0.81 | NAAA (0.49) | ALDH1A1DGKANAAATDP1MAPT | |
| Butane SCHEMBL19690452 | 0.81 | CYP19A1 (0.41) | CYP19A1DGKAPAMMAPK1FFAR3 | |
| SCHEMBL28183945 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CYP19A1DGKAMAPK1CA12 | |
| SCHEMBL29589276 | 0.81 | CA2 (0.44) | ALDH1A1CYP19A1DGKAMAPK1HDAC1 |
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-10117841-B2 | Volatile organic compound formulations having antimicrobial activity | ECOPLANET ENVIRONMENTAL LLC (US) | 2018-11-06 | — | — | US | disclosed |