Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TDO2 | P48775 | 2/20 | 0.46 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22720194 | 0.92 | GAA (0.52) | MAPK1KDM4EGAAALOX15TSHR | |
| SCHEMBL22720124 | 0.90 | GAA (0.59) | MAPK1KDM4EGAAALOX15TSHR | |
| SCHEMBL22736788 | 0.90 | GAA (0.56) | MAPK1KDM4EGAAALOX15TSHR | |
| SCHEMBL22720182 | 0.89 | GAA (0.61) | MAPK1KDM4EGAAALOX15TSHR | |
| SCHEMBL22720121 | 0.89 | GAA (0.61) | MAPK1KDM4EGAAALOX15TSHR | |
| SCHEMBL22736789 | 0.88 | KDM4E (0.48) | MAPK1KDM4EGAAALOX15TSHR | |
| SCHEMBL22720108 | 0.88 | KDM4E (0.48) | MAPK1KDM4EGAAALOX15TSHR | |
| SCHEMBL22736783 | 0.88 | TSHR (0.51) | MAPK1KDM4EGAAALOX15TSHR | |
| SCHEMBL22720110 | 0.83 | TSHR (0.40) | MAPK1KDM4EGAAALOX15TSHR | |
| SCHEMBL22720084 | 0.81 | GAA (0.43) | MAPK1KDM4EGAAALOX15TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020239050-A1 | 2-(2-CHLORO-4-METHYLPHENYL)QUINAZOLINE-4(3H)-KETONE COMPOUND AND MEDICAL USE THEREOF | 中国人民解放军军事科学院军事医学研究院 | 2020-12-03 | — | — | WO | disclosed |
| WO-2020239050-A1 | 2-(2-CHLORO-4-METHYLPHENYL)QUINAZOLINE-4(3H)-KETONE COMPOUND AND MEDICAL USE THEREOF | 中国人民解放军军事科学院军事医学研究院 | 2020-12-03 | — | — | WO | disclosed |