Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | SOD1 | P00441 | 1/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 3/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6837157 | 0.86 | CYP2A6 (0.48) | CYP2A6CYP1A2ALDH1A1HIF1ACYP1B1 | |
| SCHEMBL2790386 | 0.81 | CYP2A6 (0.44) | CYP2A6CYP1A2MAPTALDH1A1HIF1A | |
| SCHEMBL8916693 | 0.81 | CYP2A6 (0.44) | CYP2A6CYP1A2MAPTALDH1A1HIF1A | |
| SCHEMBL31518688 | 0.78 | CYP2A6 (0.50) | CYP2A6CYP1A2MAPTALDH1A1HIF1A | |
| SCHEMBL15757917 | 0.78 | CYP2A6 (0.50) | CYP2A6CYP1A2MAPTALDH1A1HIF1A | |
| SCHEMBL4839059 | 0.78 | CYP2A6 (0.50) | CYP2A6CYP1A2ALDH1A1HIF1ACYP1B1 | |
| SCHEMBL7918983 | 0.76 | CYP2A6 (0.48) | CYP2A6CYP1A2MAPTALDH1A1HIF1A | |
| SCHEMBL18606148 | 0.76 | CYP2A6 (0.39) | CYP2A6CYP1A2ALDH1A1HIF1ACYP1B1 | |
| SCHEMBL18606189 | 0.75 | CYP2A6 (0.42) | CYP2A6CYP1A2ALDH1A1HIF1ACYP1B1 | |
| SCHEMBL30843834 | 0.74 | MAOA (0.50) | CYP2A6CYP1A2MAPTALDH1A1HIF1A |
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-111721856-B | Method for detecting pyrethroid pesticide metabolite in tea | 中国农业科学院茶叶研究所 | 2022-12-13 | — | — | CN | disclosed |