Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.72 |
| ▸ | MEN1 | O00255 | 6/20 | 0.72 |
| ▸ | GAA | P10253 | 4/20 | 0.72 |
| ▸ | POLB | P06746 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | NPY1R | P25929 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.61 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.60 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL13248361 | 0.93 | KMT2A (0.73) | KMT2AKDM4EALDH1A1MEN1GAA | |
| SCHEMBL28064492 | 0.89 | HDAC1 (0.66) | KMT2AKDM4EALDH1A1MEN1GAA | |
| SCHEMBL28064513 | 0.89 | HDAC1 (0.65) | KMT2AKDM4EALDH1A1MEN1GAA | |
| SCHEMBL28064411 | 0.88 | HDAC1 (0.68) | KMT2AKDM4EALDH1A1MEN1GAA | |
| SCHEMBL28064493 | 0.88 | HDAC1 (0.65) | KMT2AKDM4EALDH1A1MEN1GAA | |
| SCHEMBL15466789 | 0.84 | KMT2A (0.77) | KMT2AKDM4EALDH1A1MEN1GAA | |
| SCHEMBL28064413 | 0.83 | HDAC1 (0.68) | KMT2AKDM4EALDH1A1MEN1GAA | |
| SCHEMBL28064502 | 0.83 | HDAC1 (0.69) | KMT2AKDM4EALDH1A1MEN1GAA | |
| SCHEMBL28064565 | 0.82 | HDAC1 (0.68) | KMT2AKDM4EALDH1A1MEN1GAA | |
| SCHEMBL28064530 | 0.82 | HDAC1 (0.72) | KMT2AKDM4EALDH1A1MEN1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105461723-B | Phthalazines simultaneously assimilation compound of [1,2, b] quinazoline 8 and preparation method thereof and the application in antineoplastic | 广西师范大学 | 2017-12-08 | — | — | CN | disclosed |
| CN-105461723-A | Phthalizine [1,2,b] quinazoline-8-ketone compound and preparation method and application in antitumor drugs of phthalizine [1,2,b] quinazoline-8-ketone compound | UNIV GUANGXI NORMAL | 2016-04-06 | — | — | CN | disclosed |