Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | PNP | P00491 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20037792 | 0.84 | CYP2D6 (0.59) | CYP2D6CD274LTA4HMAP4K4CNR2 | |
| SCHEMBL18291766 | 0.84 | ALDH1A1 (0.58) | LTA4HMAP4K4HTTALDH1A1ACHE | |
| SCHEMBL18291758 | 0.84 | ALDH1A1 (0.58) | LTA4HMAP4K4HTTALDH1A1ACHE | |
| SCHEMBL18291757 | 0.84 | ALDH1A1 (0.58) | LTA4HMAP4K4HTTALDH1A1ACHE | |
| SCHEMBL18291525 | 0.83 | HRH3 (0.48) | LTA4HMAP4K4PIK3CAMTORACHE | |
| SCHEMBL4264871 | 0.82 | CYP2D6 (0.70) | CYP2D6LTA4HMAP4K4MAPTHTT | |
| SCHEMBL20249110 | 0.81 | CYP2D6 (0.55) | CYP2D6CD274LTA4HMAP4K4CNR2 | |
| SCHEMBL20037696 | 0.78 | CD274 (0.39) | CYP2D6CD274NPSR1ACHE | |
| SCHEMBL1035345 | 0.78 | ALDH1A1 (0.56) | CYP2D6L3MBTL1ALDH1A1HRH3 | |
| SCHEMBL2233651 | 0.78 | GRM2 (0.45) | MAP4K4PIK3CAMTORCNR2GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |