Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12013277 | 0.96 | MEN1 (0.42) | TSHRMAPK1MEN1KMT2A | |
| SCHEMBL12013332 | 0.96 | MEN1 (0.42) | TSHRMAPK1MEN1KMT2A | |
| SCHEMBL15140020 | 0.88 | CES1 (0.34) | — | |
| SCHEMBL29617463 | 0.79 | — | — | |
| SCHEMBL75556 | 0.79 | TSHR (0.56) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL12013339 | 0.79 | — | — | |
| SCHEMBL15140024 | 0.77 | — | — | |
| SCHEMBL14997583 | 0.77 | TSHR (0.53) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL14997582 | 0.77 | TSHR (0.53) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL12013291 | 0.76 | — | — |
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-109956880-B | Non-natural chiral amino acid compound containing long polyfluoroalkyl chain and acid salt of amine thereof, preparation method and application | 天津大学 | 2022-03-15 | — | — | CN | disclosed |