Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28355604 | 0.85 | TSHR (0.41) | TSHRALDH1A1TDP1 | |
| SCHEMBL28250194 | 0.81 | TSHR (0.33) | TSHRTDP1 | |
| SCHEMBL7167683 | 0.77 | — | — | |
| SCHEMBL3205875 | 0.77 | TSHR (0.38) | TSHRALDH1A1TDP1 | |
| SCHEMBL7167685 | 0.77 | — | — | |
| SCHEMBL7163843 | 0.76 | ALDH1A1 (0.38) | TSHRALDH1A1 | |
| SCHEMBL7163845 | 0.76 | ALDH1A1 (0.38) | TSHRALDH1A1 | |
| SCHEMBL3811100 | 0.75 | ALDH1A1 (0.41) | TSHRALDH1A1 | |
| SCHEMBL93534 | 0.74 | — | — | |
| SCHEMBL27685932 | 0.74 | PTGS1 (0.36) | TSHR |
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-113474324-A | Isobutyrate compounds having n-butyryloxy group at alpha position, fragrance compositions and use as fragrance | 三菱瓦斯化学株式会社 | 2021-10-01 | — | — | CN | disclosed |