Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11161495 | 0.81 | TSHR (0.37) | TSHRCYP3A4HSD11B1PAX8ABCB1 | |
| SCHEMBL22990872 | 0.80 | TSHR (0.32) | TSHRCYP3A4HSD11B1ABCB1GABRA1 | |
| SCHEMBL19919337 | 0.79 | CHRM2 (0.30) | CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL19919340 | 0.79 | CHRM2 (0.30) | CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL19919364 | 0.79 | PPARG (0.32) | — | |
| SCHEMBL19919365 | 0.79 | PPARG (0.32) | — | |
| SCHEMBL19788602 | 0.78 | TSHR (0.31) | TSHRCYP3A4 | |
| SCHEMBL22137436 | 0.77 | HPGD (0.32) | TSHR | |
| SCHEMBL18264956 | 0.76 | CYP3A4 (0.39) | TSHRCYP3A4HSD11B1ABCB1ACHE | |
| SCHEMBL19919338 | 0.76 | CHRM2 (0.38) | CHRM2CHRM4CHRM1CHRM3 |
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-2021126142-A1 | ESTERIFICATION OF ACETIC ACID RECOVERED FROM WOOD ACETYLATION WITH ALCOHOLS | EASTMAN CHEMICAL COMPANY (US) | 2021-06-24 | — | — | WO | disclosed |