Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TOP1 | P11387 | 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 | |
|---|---|---|---|---|
| SCHEMBL4422883 | 0.98 | PDE4A (0.58) | PDE4ALMNAL3MBTL1TDP1USP2 | |
| SCHEMBL321750 | 0.98 | PDE4A (0.58) | PDE4ALMNAL3MBTL1TDP1USP2 | |
| SCHEMBL27516225 | 0.98 | PDE4A (0.58) | PDE4ALMNAL3MBTL1TDP1USP2 | |
| SCHEMBL92769 | 0.98 | PDE4A (0.58) | PDE4ALMNAL3MBTL1TDP1USP2 | |
| Ammonia Solution, Strong SCHEMBL27782446 | 0.96 | PDE4A (0.56) | PDE4ALMNAL3MBTL1TDP1USP2 | |
| Bromide SCHEMBL27760150 | 0.96 | PDE4A (0.56) | PDE4ALMNAL3MBTL1TDP1USP2 | |
| Hydrochloric Acid SCHEMBL27659069 | 0.96 | PDE4A (0.56) | PDE4ALMNAL3MBTL1TDP1USP2 | |
| SCHEMBL6514261 | 0.91 | PDE4A (0.48) | PDE4ALMNAL3MBTL1TDP1USP2 | |
| SCHEMBL26605110 | 0.91 | PDE4A (0.48) | PDE4ALMNAL3MBTL1TDP1USP2 | |
| SCHEMBL626497 | 0.91 | PDE4A (0.48) | PDE4ALMNAL3MBTL1TDP1USP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106072756-B | A kind of electronic cigarette liquid containing benzyl carbinol glucosides | 上海应用技术学院 | 2017-06-23 | — | — | CN | disclosed |
| CN-106072756-A | A kind of electronic cigarette liquid containing phenethanol glucosides | 上海应用技术学院 | 2016-11-09 | — | — | CN | disclosed |