Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL706818 | 0.82 | MAOA (0.36) | ESR1ESR2TAAR1TDP1NR1H2 | |
| SCHEMBL1315271 | 0.75 | LMNA (0.35) | TAAR1AOC3TRPA1TSHRSLC6A2 | |
| SCHEMBL1538902 | 0.73 | AOC3 (0.34) | ESR1ESR2TDP1NR1H2NR1H3 | |
| SCHEMBL705725 | 0.72 | ESR1 (0.34) | ESR1ESR2TAAR1TDP1AOC3 | |
| SCHEMBL705425 | 0.72 | ESR1 (0.34) | ESR1ESR2TAAR1TDP1AOC3 | |
| SCHEMBL12815607 | 0.70 | TACR1 (0.37) | TDP1TSHRADORA2AADORA1 | |
| SCHEMBL2933123 | 0.70 | TSHR (0.42) | TAAR1TSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1316040 | 0.70 | ESR1 (0.38) | ESR1ESR2TAAR1TDP1NR1H2 | |
| SCHEMBL1538758 | 0.69 | ESR1 (0.41) | ESR1ESR2TDP1NR1H2NR1H3 | |
| SCHEMBL1538615 | 0.67 | TSHR (0.35) | ESR1ESR2TDP1NR1H2NR1H3 |
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-2020040433-A1 | METHOD FOR PREPARATION OF SGLT-2 INHIBITOR, DAPAGLIFLOZIN PRECURSOR | 동아에스티 주식회사 | 2020-02-27 | — | — | WO | claimed |