Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28397035 | 0.78 | MAP3K5 (0.38) | ALDH1A1KDM4EPOLBMEN1KMT2A | |
| SCHEMBL8555373 | 0.78 | ALPL (0.46) | ALDH1A1CYP3A4NFKB1PMP22POLB | |
| SCHEMBL5322518 | 0.78 | ALPL (0.44) | ALDH1A1CYP3A4NFKB1PMP22POLB | |
| SCHEMBL28400364 | 0.78 | ANPEP (0.35) | ALDH1A1KDM4EGAAHSPA1APABPC1 | |
| SCHEMBL7250955 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAACYP3A4NFKB1 | |
| SCHEMBL501398 | 0.73 | KMT2A (0.45) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL11072686 | 0.73 | KMT2A (0.45) | ALDH1A1KDM4EGAAPOLBMEN1 | |
| SCHEMBL893875 | 0.73 | MEN1 (0.44) | ALDH1A1KDM4EGAACYP3A4NFKB1 | |
| SCHEMBL8605347 | 0.72 | KMT2A (0.44) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL12617582 | 0.72 | ADORA2A (0.43) | ALDH1A1KDM4EGAASCN2AMEN1 |
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-111217839-A | 2, 6-disubstituted pyrimidine aromatic anhydride and synthesis method and application thereof | 浙江大学 | 2020-06-02 | — | — | CN | disclosed |