Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL27674 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1 | |
| SCHEMBL23554490 | 0.82 | ALDH1A1 (0.35) | ALDH1A1TSHR | |
| SCHEMBL3793608 | 0.82 | TDP1 (0.42) | ALDH1A1TSHRTDP1CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL1969451 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| Bromide SCHEMBL7778868 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| Iodide SCHEMBL26983162 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| SCHEMBL29249260 | 0.79 | TDP1 (0.37) | ALDH1A1TSHRTDP1CYP2C9CYP2C19 | |
| SCHEMBL21111268 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| SCHEMBL8090320 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TSHR | |
| SCHEMBL3957394 | 0.79 | LMNA (0.31) | — |
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-104650357-B | Composition and preparation method thereof comprising nitrogenous organic oxysilane compound | 信越化学工业株式会社 | 2019-08-02 | — | — | CN | disclosed |