Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 4/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.38 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 3/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27555258 | 0.85 | CES2 (0.39) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL3357465 | 0.85 | ALDH1A1 (0.40) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL28284837 | 0.84 | CES2 (0.47) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL6748978 | 0.83 | CYP1A2 (0.38) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL317482 | 0.83 | GRIK1 (0.36) | GRIK1GRIA4GRIK3GRIK5CYP1A2 | |
| SCHEMBL28187480 | 0.81 | GRIK1 (0.41) | ALDH1A1FFAR3GRIK1GRIA4GRIK3 | |
| SCHEMBL6049484 | 0.79 | CYP1A2 (0.42) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| Ammonia Solution, Strong SCHEMBL8411985 | 0.79 | GRIK1 (0.40) | ALDH1A1FFAR3GRIK1GRIA4GRIK3 | |
| Ammonia Solution, Strong SCHEMBL27555453 | 0.78 | ALDH1A1 (0.39) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL2843709 | 0.78 | ALDH1A1 (0.36) | ALDH1A1CES2CES1HDAC3HDAC1 |
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-109316462-A | A kind of pillow Chinese materia medica preparation pharmaceutical carrier and preparation method thereof | 温州医科大学附属第医院 | 2019-02-12 | — | — | CN | claimed |
| CN-109316462-A | A kind of pillow Chinese materia medica preparation pharmaceutical carrier and preparation method thereof | 温州医科大学附属第医院 | 2019-02-12 | — | — | CN | disclosed |