Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 3/20 | 0.45 |
| ▸ | GSK3B | P49841 | 3/20 | 0.45 |
| ▸ | SRC | P12931 | 2/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | METAP1 | P53582 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8483152 | 0.79 | KDM4E (0.59) | KDM4ELMNAMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL31392367 | 0.79 | KDM4E (0.59) | KDM4ELMNAMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL5113248 | 0.75 | KDM4E (0.56) | KDM4ELMNAMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL17795952 | 0.74 | CXCL12 (0.52) | KDM4ELMNAMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL6847060 | 0.74 | CXCL12 (0.47) | KDM4ELMNAMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL8128619 | 0.72 | DCPS (0.63) | KDM4ELMNAMAPTALDH1A1CYP1A2 | |
| SCHEMBL12102886 | 0.72 | CXCL12 (0.46) | KDM4ELMNAMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL31045125 | 0.72 | DHFR (0.37) | KDM4ELMNAMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL29389300 | 0.71 | MAOA (0.56) | KDM4ELMNAMAPTALDH1A1MAOA | |
| SCHEMBL92707 | 0.71 | MAOA (0.56) | KDM4ELMNAMAPTALDH1A1MAOA |
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-103232401-B | A kind of synthetic method of 4-arylthio quinazoline compounds | JIANG University OF TECHNOLOGY (CN) | 2015-11-04 | — | — | CN | disclosed |