Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.37 |
| ▸ | GCGR | P47871 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12080115 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP1A1CYP1B1MAPT | |
| SCHEMBL28123738 | 0.89 | MAPT (0.46) | ALDH1A1CYP1A2CYP1A1CYP1B1MAPT | |
| SCHEMBL10457000 | 0.77 | ALDH1A1 (0.69) | ALDH1A1ACHECYP2A6CYP1A2CYP1A1 | |
| SCHEMBL16959417 | 0.76 | ALDH1A1 (0.43) | ALDH1A1NFE2L2MEN1KMT2ACYP3A4 | |
| SCHEMBL28299330 | 0.76 | ALDH1A1 (0.42) | ALDH1A1ACHEKCNH2 | |
| SCHEMBL29377009 | 0.75 | NFE2L2 (0.55) | ALDH1A1BCHECYP1A2CYP1A1CYP1B1 | |
| SCHEMBL14909 | 0.75 | NFE2L2 (0.55) | ALDH1A1BCHECYP1A2CYP1A1CYP1B1 | |
| SCHEMBL10693516 | 0.74 | SIRT2 (0.42) | ALDH1A1ACHECYP2A6MEN1KMT2A | |
| Hydrogen Sulfide SCHEMBL27500079 | 0.74 | NFE2L2 (0.53) | ALDH1A1BCHEACHECYP1A2CYP1A1 | |
| Benzene SCHEMBL28154477 | 0.74 | NFE2L2 (0.59) | ALDH1A1BCHECYP1A2CYP1A1CYP1B1 |
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-109642067-A | Resin combination and stacking moulding Zhi Chengcai | 日本合成化学工业株式会社 | 2019-04-16 | — | — | CN | disclosed |