Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL28094534 | 0.76 | ALDH1A1 (0.36) | ALDH1A1CES2CES1 | |
| SCHEMBL5580596 | 0.75 | CES2 (0.33) | ALDH1A1CES2CES1 | |
| SCHEMBL4067131 | 0.73 | — | — | |
| SCHEMBL6416113 | 0.71 | — | — | |
| Sulfuric Acid SCHEMBL27573794 | 0.70 | CES2 (0.30) | CES2CES1 | |
| SCHEMBL2778186 | 0.69 | TSHR (0.39) | ALDH1A1 | |
| SCHEMBL28098152 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL28046117 | 0.69 | CES2 (0.39) | ALDH1A1CES2CES1 | |
| SCHEMBL7066820 | 0.69 | — | — | |
| SCHEMBL28332862 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105517585-A | bioactive coating | BIOINTERACTIONS LTD | 2016-04-20 | — | — | CN | disclosed |