Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28512799 | 0.86 | RAB9A (0.48) | NPC1RAB9AEPHX2L3MBTL1MAPK1 | |
| SCHEMBL2916487 | 0.83 | NPC1 (0.50) | NPC1RAB9A | |
| SCHEMBL28510730 | 0.82 | MAPK1 (0.51) | NPC1RAB9AEPHX2MAPK1PIK3CA | |
| SCHEMBL28521123 | 0.78 | NPC1 (0.43) | NPC1RAB9AEPHX2L3MBTL1 | |
| SCHEMBL20639917 | 0.77 | L3MBTL1 (0.49) | NPC1RAB9AEPHX2L3MBTL1HTT | |
| SCHEMBL28522128 | 0.77 | L3MBTL1 (0.49) | NPC1RAB9AL3MBTL1HTTSMN1; SMN2 | |
| SCHEMBL4164891 | 0.76 | RAB9A (0.50) | NPC1RAB9AL3MBTL1MAPK1SMN1; SMN2 | |
| SCHEMBL20254701 | 0.76 | MAOB (0.51) | HTT | |
| SCHEMBL4160236 | 0.74 | RAB9A (0.48) | NPC1RAB9AL3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL28513546 | 0.73 | RAB9A (0.62) | NPC1RAB9AEPHX2L3MBTL1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112341378-A | Urea substituted alkynyl pyrimidine or urea substituted alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2021-02-09 | — | — | CN | disclosed |