Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | GBA1 | P04062 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19217039 | 0.92 | ACACB (0.37) | ACACBMAP4K4FFAR2PIK3CAMTOR | |
| SCHEMBL19217036 | 0.85 | PIK3CA (0.44) | ACACBFFAR2PIK3CAMTORPIK3CG | |
| SCHEMBL19216983 | 0.80 | ALKBH5 (0.37) | PPARAMAPTAVPR1B | |
| SCHEMBL16613115 | 0.79 | MTOR (0.48) | PIK3CAMTOR | |
| SCHEMBL16611831 | 0.78 | PIK3CA (0.48) | EGLN1PIK3CAMTORPIK3CGMAPK14 | |
| SCHEMBL16613162 | 0.74 | MTOR (0.46) | PIK3CAMTOR | |
| SCHEMBL16610955 | 0.72 | PIK3CA (0.49) | PIK3CAMTORPIK3CGMAPK14CSNK1G1 | |
| SCHEMBL19217037 | 0.70 | MAP3K12 (0.31) | PIK3CAMTORPIK3CGMAPK14CSNK1G1 | |
| SCHEMBL16727865 | 0.70 | MTOR (0.47) | PIK3CAMTOR | |
| SCHEMBL19217042 | 0.69 | PIK3CA (0.34) | PIK3CAMTORPIK3CGMAPK14CSNK1G1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9724352-B2 | Pyrrolo[2,1-F[1,2,4]triazine compounds, preparation methods and applications thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-08-08 | — | — | US | disclosed |