Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21855873 | 0.80 | KDM4E (0.50) | KDM4ELMNAALDH1A1LRRK2L3MBTL1 | |
| SCHEMBL12179269 | 0.80 | LRRK2 (0.52) | KDM4ELMNAALDH1A1LRRK2L3MBTL1 | |
| SCHEMBL10076882 | 0.80 | KDM4E (0.47) | KDM4ELMNAALDH1A1LRRK2L3MBTL1 | |
| SCHEMBL13662151 | 0.80 | AOC3 (0.47) | KDM4ELMNAALDH1A1LRRK2L3MBTL1 | |
| SCHEMBL29952659 | 0.78 | LRRK2 (0.47) | KDM4ELMNAALDH1A1LRRK2L3MBTL1 | |
| SCHEMBL9967843 | 0.76 | LRRK2 (0.46) | KDM4ELMNAALDH1A1LRRK2L3MBTL1 | |
| SCHEMBL13322391 | 0.76 | LRRK2 (0.46) | KDM4ELMNAALDH1A1LRRK2L3MBTL1 | |
| SCHEMBL21646524 | 0.76 | LRRK2 (0.46) | KDM4ELMNAALDH1A1LRRK2L3MBTL1 | |
| SCHEMBL758632 | 0.76 | CYP1A2 (0.56) | KDM4ELMNALRRK2CYP1A2CYP2C9 | |
| SCHEMBL23274775 | 0.73 | POLB (0.46) | KDM4ELMNAALDH1A1LRRK2POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3660016-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | Incyte Holdings Corporation (US) | 2020-06-03 | — | — | EP | disclosed |
| EP-2549875-B1 | SOLUBLE GUANYLATE CYCLASE ACTIVATORS | MERCK SHARP & DOHME (US) | 2015-05-13 | — | — | EP | disclosed |