Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL304 | 0.89 | — | — | |
| Water SCHEMBL16146551 | 0.89 | — | — | |
| Iodide SCHEMBL28254110 | 0.86 | — | — | |
| SCHEMBL27707921 | 0.86 | — | — | |
| Methane SCHEMBL21533321 | 0.86 | — | — | |
| Acetonitrile SCHEMBL3841070 | 0.83 | — | — | |
| Bicarbonate SCHEMBL11484851 | 0.82 | ALDH1A1 (0.38) | ALDH1A1TDP1TSHR | |
| SCHEMBL27854025 | 0.79 | ALDH1A1 (0.35) | ALDH1A1TDP1TSHR | |
| SCHEMBL2976558 | 0.79 | ALDH1A1 (0.35) | ALDH1A1TDP1TSHR | |
| Ethylene Glycol SCHEMBL21802491 | 0.78 | TSHR (0.42) | ALDH1A1TDP1TSHR |
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-109415309-A | Sulfonate compound and its utilization | 日产化学株式会社 | 2019-03-01 | — | — | CN | disclosed |