Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.33 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.33 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22307385 | 0.91 | PLA2G1B (0.43) | LMNAALDH1A1MAPTCYP2C19 | |
| SCHEMBL3937741 | 0.90 | ADH1B (0.48) | KMT2AKDM4EMEN1LMNAALDH1A1 | |
| SCHEMBL22307312 | 0.86 | EPHX2 (0.47) | KMT2AKDM4EMEN1LMNAALDH1A1 | |
| SCHEMBL22307305 | 0.82 | MAPT (0.39) | KMT2AKDM4EMEN1LMNAALDH1A1 | |
| SCHEMBL22307234 | 0.82 | TSHR (0.44) | KMT2AMEN1ALDH1A1POLBCYP2C19 | |
| SCHEMBL22306357 | 0.80 | GAA (0.41) | KMT2AMEN1LMNAALDH1A1POLB | |
| SCHEMBL22306354 | 0.77 | GAA (0.58) | KMT2AKDM4ELMNAALDH1A1MAPT | |
| SCHEMBL22306362 | 0.72 | LMNA (0.43) | KMT2AMEN1LMNAALDH1A1POLB | |
| SCHEMBL22306359 | 0.72 | POLB (0.44) | KMT2AKDM4EMEN1LMNAALDH1A1 | |
| SCHEMBL22307241 | 0.71 | SMN1; SMN2 (0.47) | KMT2AKDM4EMEN1ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020156298-A1 | APPLICATION OF MALONONITRILE COMPOUND AS BACTERICIDE | 沈阳化工大学 | 2020-08-06 | — | — | WO | disclosed |