Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 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 | |
|---|---|---|---|---|
| SCHEMBL4895758 | 0.87 | KDM4E (0.49) | TDO2KDM4EMAPTL3MBTL1MAPK1 | |
| SCHEMBL2005694 | 0.82 | MAPT (0.45) | TDO2KDM4EMAPTL3MBTL1MAPK1 | |
| SCHEMBL16547474 | 0.77 | ALDH1A1 (0.48) | TDO2KDM4EMAPTL3MBTL1MAPK1 | |
| SCHEMBL24135536 | 0.77 | GRIN2D (0.35) | MAPTNOS3NOS2NPC1RAB9A | |
| SCHEMBL20574129 | 0.76 | GRIN2D (0.34) | KDM4EMAPK1NOS3NOS2ALDH1A1 | |
| SCHEMBL27136755 | 0.76 | ALDH1A1 (0.47) | KDM4EMAPTL3MBTL1MAPK1NPSR1 | |
| SCHEMBL15330702 | 0.76 | ALDH1A1 (0.41) | TDO2KDM4EMAPTL3MBTL1MAPK1 | |
| SCHEMBL30444751 | 0.76 | GRIN2D (0.34) | KDM4EMAPK1NOS3NOS2ALDH1A1 | |
| SCHEMBL15293912 | 0.74 | KDM4E (0.42) | TDO2KDM4EMAPTL3MBTL1MAPK1 | |
| SCHEMBL3149078 | 0.71 | ALKBH2 (0.57) | TDO2KDM4EMAPTL3MBTL1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023072301-A1 | PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF | 正大天晴药业集团股份有限公司 | 2023-05-04 | — | — | WO | disclosed |