Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | NR1H3 | Q13133 | 7/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | MLYCD | O95822 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzyl Alcohol SCHEMBL28250621 | 0.79 | TSHR (0.54) | TSHRNR1H3NR1H2MLYCDCYP2C19 | |
| Chloromethane SCHEMBL28157121 | 0.75 | TSHR (0.90) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Methyl Alcohol SCHEMBL2647148 | 0.75 | TSHR (0.90) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| SCHEMBL15900 | 0.75 | TSHR (1.00) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| SCHEMBL27766437 | 0.75 | TSHR (1.00) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| SCHEMBL24735547 | 0.75 | TSHR (1.00) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| SCHEMBL5014268 | 0.75 | TSHR (1.00) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL27585620 | 0.75 | ALDH1A1 (0.65) | ALDH1A1TSHRTAAR1MLYCDNPC1 | |
| Bromide SCHEMBL414532 | 0.73 | TSHR (0.94) | ALDH1A1TSHRTAAR1NPC1RAB9A | |
| SCHEMBL7911439 | 0.73 | TSHR (0.94) | ALDH1A1TSHRTAAR1NPC1RAB9A |
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-116399965-A | Method for extracting and analyzing triazole fungicide by using switchable polarity eutectic solvent | 宁夏医科大学 | 2023-07-07 | — | — | CN | disclosed |