Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 9/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8466961 | 0.74 | ACLY (0.48) | TSHRTET2ACLYALDH1A1 | |
| SCHEMBL16941870 | 0.74 | TSHR (0.35) | TSHRALDH1A1TP53 | |
| SCHEMBL9680962 | 0.74 | TSHR (0.35) | TSHRALDH1A1TP53 | |
| SCHEMBL61462 | 0.73 | — | — | |
| SCHEMBL28661533 | 0.73 | TSHR (0.38) | TSHRALDH1A1TP53 | |
| SCHEMBL19299918 | 0.72 | ALDH1A1 (0.33) | CES1TET2ACLYALDH1A1 | |
| SCHEMBL20677201 | 0.72 | TET2 (0.32) | TET2ACLYALDH1A1TP53 | |
| SCHEMBL16173984 | 0.72 | FAAH (0.36) | CES1TET2ACLY | |
| SCHEMBL29007494 | 0.71 | — | — | |
| SCHEMBL24410838 | 0.70 | TSHR (0.38) | TSHRALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015004035-A1 | METHOD FOR PREPARATION OF 4-ALKOXY-1,1,1-TRIFLUOROBUT-3-EN-2-ONES FROM TRIFLUOROACETYLACETIC ACID | LONZA LTD (CH) | 2015-01-15 | — | — | WO | disclosed |