Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29888262 | 1.00 | LMNA (0.42) | LMNAGAASLC1A5MAPTMAPK1 | |
| SCHEMBL5491257 | 1.00 | LMNA (0.42) | LMNAGAASLC1A5MAPTMAPK1 | |
| SCHEMBL1822157 | 1.00 | LMNA (0.42) | LMNAGAASLC1A5MAPTMAPK1 | |
| SCHEMBL1822159 | 1.00 | LMNA (0.42) | LMNAGAASLC1A5MAPTMAPK1 | |
| SCHEMBL14191690 | 0.83 | GAA (0.44) | LMNAGAAMAPTMAPK1L3MBTL1 | |
| SCHEMBL4014542 | 0.83 | GAA (0.44) | LMNAGAAMAPTMAPK1L3MBTL1 | |
| SCHEMBL4014545 | 0.83 | GAA (0.44) | LMNAGAAMAPTMAPK1L3MBTL1 | |
| SCHEMBL14191688 | 0.82 | CYP3A4 (0.49) | LMNAGAAMAPTMAPK1ALDH1A1 | |
| SCHEMBL12693914 | 0.81 | GAA (0.45) | LMNAGAAMAPTMAPK1L3MBTL1 | |
| SCHEMBL1192238 | 0.81 | ALDH1A1 (0.44) | LMNAGAAMAPTALDH1A1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110078675-B | 4-aryl quinazoline compound and preparation method thereof | 郑州大学 | 2022-09-23 | — | — | CN | disclosed |
| CN-107141293-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-115057861-A | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-16 | — | — | CN | disclosed |