Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL2070169 | 0.80 | CYP1A2 (0.55) | NLRP3MEN1KMT2ANPC1CYP1A2 | |
| SCHEMBL286492 | 0.79 | DAGLA (0.43) | NPC1ITGAVCYP1A2DAGLAMAPT | |
| SCHEMBL20267830 | 0.75 | ALDH1A1 (0.43) | NLRP3MEN1KMT2ANPC1CYP1A2 | |
| SCHEMBL13631423 | 0.75 | ITGAV (0.50) | NPC1ITGAVCYP1A2MAPTHDAC1 | |
| SCHEMBL28517912 | 0.75 | FBP1 (0.43) | NLRP3MEN1KMT2ANPC1ITGAV | |
| SCHEMBL20267535 | 0.73 | TSHR (0.46) | CYP1A2MAPTCYP2C19TP53SMN1; SMN2 | |
| SCHEMBL18214736 | 0.71 | ALDH1A1 (0.43) | MEN1KMT2ANPC1CYP1A2MAPT | |
| SCHEMBL14844574 | 0.70 | P2RX7 (0.49) | ITGAVCYP1A2MAPTHDAC1HDAC8 | |
| SCHEMBL5270512 | 0.69 | — | — | |
| SCHEMBL222642 | 0.69 | — | — |
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-109652166-A | A kind of volatility drawing oil free of cleaning and preparation method thereof | 东莞市登喜达表面处理科技有限公司 | 2019-04-19 | — | — | CN | disclosed |