Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | NNMT | P40261 | 1/20 | 0.42 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 6/20 | 0.41 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL600512 | 0.87 | MAPK1 (0.74) | MAPK1KDM4EL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL2219738 | 0.83 | NNMT (0.61) | MAPK1KDM4EL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL13184552 | 0.83 | BAZ2B (0.57) | MAPK1KDM4EL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL2113530 | 0.80 | P4HTM (0.66) | MAPK1KDM4EL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL29967093 | 0.80 | P4HTM (0.66) | MAPK1KDM4EL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL599587 | 0.78 | P4HTM (0.63) | MAPK1KDM4EL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL13754096 | 0.77 | GRM5 (0.51) | MAPK1KDM4EL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL31314624 | 0.77 | MAPK1 (0.74) | MAPK1KDM4EL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL18231649 | 0.77 | ALDH1A1 (0.47) | MAPK1KDM4EL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL28650145 | 0.77 | MAPK1 (0.74) | MAPK1KDM4EL3MBTL1ALDH1A1NPC1 |
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-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |