Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAT2A | P31153 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28487663 | 0.75 | MAT2A (0.40) | MAPK14ALDH1A1KDM4ELMNAMEN1 | |
| SCHEMBL28480184 | 0.71 | ALDH1A1 (0.49) | ALDH1A1KDM4EHTTLMNAMAPK1 | |
| SCHEMBL28487644 | 0.70 | SMN1; SMN2 (0.45) | MAPK14ALDH1A1KDM4EHTTLMNA | |
| SCHEMBL28222792 | 0.69 | MAT2A (0.40) | ALDH1A1KDM4EHTTLMNATSHR | |
| SCHEMBL28488178 | 0.69 | MAPK14 (0.45) | MAPK14ALDH1A1KDM4EHTTTSHR | |
| SCHEMBL29134980 | 0.66 | MAPT (0.49) | MAPK14HTTMAPK1SMN1; SMN2MAPT | |
| SCHEMBL28478839 | 0.66 | DPP4 (0.44) | MAPK14ALDH1A1KDM4EHTTTSHR | |
| SCHEMBL2798266 | 0.64 | ALDH1A1 (0.50) | ALDH1A1KDM4EHTTLMNAMEN1 | |
| Acrylic Acid Methyl Ester SCHEMBL31473027 | 0.63 | ALDH1A1 (0.41) | ALDH1A1KDM4ETSHRMAPK1MEN1 | |
| SCHEMBL25081934 | 0.63 | MAPT (0.64) | MAPK14HTTMAPK1SMN1; SMN2MAPT |
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-108191834-B | Preparation method of benzo-fused N-heterocyclic compound | 中山大学 | 2020-10-16 | — | — | CN | disclosed |