Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28289815 | 0.95 | TRPA1 (0.41) | TRPA1ALDH1A1TDP1TSHRLMNA | |
| SCHEMBL4887848 | 0.79 | TSHR (0.41) | TSHR | |
| SCHEMBL4889313 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TDP1LMNA | |
| SCHEMBL7591144 | 0.76 | LMNA (0.38) | ALDH1A1TDP1TSHRLMNA | |
| SCHEMBL27414879 | 0.75 | — | — | |
| SCHEMBL270330 | 0.75 | — | — | |
| SCHEMBL13536696 | 0.75 | — | — | |
| SCHEMBL246160 | 0.74 | ALDH1A1 (0.52) | TRPA1ALDH1A1TDP1TSHRLMNA | |
| SCHEMBL4885018 | 0.74 | ALDH1A1 (0.56) | TRPA1ALDH1A1TDP1TSHRLMNA | |
| SCHEMBL11515091 | 0.74 | LMNA (0.43) | TRPA1ALDH1A1TDP1TSHRLMNA |
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-109796339-A | A kind of preparation method of 3- (2- ethylpropoxy) propionic acid -2- ethylpropyl | 韶关市合众化工有限公司 | 2019-05-24 | — | — | CN | claimed |