Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.32 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 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 | |
|---|---|---|---|---|
| SCHEMBL30309537 | 0.83 | AKR1C3 (0.42) | ALDH1A1TSHR | |
| SCHEMBL3757526 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TSHRTP53TDP1PTGS2 | |
| SCHEMBL8758668 | 0.77 | ESR2 (0.53) | ALDH1A1TSHRTP53TDP1PTGS2 | |
| SCHEMBL668815 | 0.76 | MEN1 (0.42) | ALDH1A1ESR2ALOX5BACE1MAPT | |
| SCHEMBL258568 | 0.74 | ALDH1A1 (0.44) | ALDH1A1TSHRTP53TDP1PTGS2 | |
| SCHEMBL8758537 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TSHRTP53TDP1PTGS2 | |
| SCHEMBL30753562 | 0.73 | ALOX5 (0.59) | ALDH1A1TSHRTDP1ESR2ALOX5 | |
| SCHEMBL28807708 | 0.73 | TSHR (0.44) | ALDH1A1TSHRTP53TDP1ESR2 | |
| SCHEMBL15853156 | 0.73 | ESR2 (0.36) | TSHRPTGS2PTGS1ESR2ALOX5 | |
| SCHEMBL8759091 | 0.73 | CSNK2A1 (0.49) | ALDH1A1TSHRTP53TDP1ALOX5 |
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-115786943-A | Electrochemical synthesis method of fluorine-containing and trifluoromethyl-containing compound | 齐鲁工业大学 | 2023-03-14 | — | — | CN | disclosed |