Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.44 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.44 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22306441 | 0.79 | ALDH1A1 (0.46) | KDM4EHPGDLMNAALDH1A1MEN1 | |
| SCHEMBL22306421 | 0.79 | HPGD (0.51) | MCL1MAPTKDM4ECYP3A4HPGD | |
| SCHEMBL22307392 | 0.75 | MCL1 (0.50) | MCL1MAPTHPGDLMNAPLIN1 | |
| SCHEMBL6187669 | 0.75 | IDO1 (0.53) | MCL1MAPTKDM4ECYP3A4HPGD | |
| SCHEMBL17763698 | 0.74 | MCL1 (0.61) | MCL1MAPTKDM4ECYP3A4HPGD | |
| SCHEMBL17763697 | 0.74 | MCL1 (0.61) | MCL1MAPTKDM4ECYP3A4HPGD | |
| SCHEMBL17814271 | 0.74 | MCL1 (0.61) | MCL1MAPTKDM4ECYP3A4HPGD | |
| SCHEMBL13626330 | 0.73 | PKM (0.41) | MCL1MAPTHPGDLMNAPLIN1 | |
| N-Benzylmethylamine SCHEMBL28767722 | 0.73 | MAPT (0.77) | MCL1MAPTKDM4ECYP3A4HPGD | |
| SCHEMBL24797746 | 0.71 | MCL1 (0.46) | MCL1MAPTKDM4ECYP3A4HPGD |
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 |