Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 5/20 | 0.47 |
| ▸ | GSK3B | P49841 | 4/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.47 |
| ▸ | SRC | P12931 | 3/20 | 0.47 |
| ▸ | GSK3A | P49840 | 2/20 | 0.47 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.47 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL22690047 | 0.77 | PDE10A (0.47) | CYP1A2L3MBTL1KDM4ENPC1GAA | |
| SCHEMBL11357725 | 0.74 | CYP1A1 (0.56) | CYP1A1CYP1A2CYP1B1DCPS | |
| SCHEMBL3946606 | 0.72 | HCAR2 (0.52) | CYP1A2L3MBTL1KDM4ENPC1GAA | |
| SCHEMBL14529175 | 0.71 | CYP1A2 (0.61) | CYP1A1CYP1A2CYP1B1L3MBTL1KDM4E | |
| SCHEMBL28411462 | 0.71 | MAPT (0.44) | CYP1A2L3MBTL1KDM4ENPC1GAA | |
| SCHEMBL2188560 | 0.71 | ADORA1 (0.58) | CYP1A1CYP1A2CYP1B1KDM4EGAA | |
| SCHEMBL29565779 | 0.71 | MAPT (0.44) | CYP1A2L3MBTL1KDM4ENPC1GAA | |
| SCHEMBL31169377 | 0.70 | METAP1 (0.66) | CYP1A1CYP1A2CYP1B1L3MBTL1KDM4E | |
| SCHEMBL34467231 | 0.70 | CYP1A2 (0.62) | CYP1A1CYP1A2CYP1B1KDM4ENPC1 | |
| SCHEMBL30394017 | 0.70 | METAP1 (0.66) | CYP1A1CYP1A2CYP1B1L3MBTL1KDM4E |
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-105367555-B | Substituted heteroaryl compound and combinations thereof and purposes | 广东东阳光药业有限公司 | 2019-06-25 | — | — | CN | disclosed |