Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.36 |
| ▸ | GRK5 | P34947 | 1/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8017388 | 0.76 | MEN1 (0.45) | ALDH1A1NPSR1MGLLGSK3AGSK3B | |
| SCHEMBL2024596 | 0.71 | FAAH (0.39) | MGLLTYRO3DYRK1B | |
| SCHEMBL16280099 | 0.67 | MGLL (0.62) | GAAALDH1A1NPSR1CES2BCHE | |
| SCHEMBL2928174 | 0.65 | GAA (0.57) | GAAALDH1A1NPSR1CES2BCHE | |
| SCHEMBL11192708 | 0.64 | GAA (0.46) | GAAALDH1A1NPSR1CES2BCHE | |
| SCHEMBL9845527 | 0.64 | GAA (0.41) | GAAALDH1A1NPSR1CES2BCHE | |
| SCHEMBL2851080 | 0.63 | MGLL (0.56) | GAAALDH1A1NPSR1CES2BCHE | |
| SCHEMBL28715061 | 0.63 | GAA (0.38) | GAAALDH1A1NPSR1CES2BCHE | |
| SCHEMBL13496546 | 0.63 | GAA (0.46) | GAAALDH1A1GSK3AGSK3BNPC1 | |
| SCHEMBL6779830 | 0.62 | GAA (0.46) | GAAALDH1A1NPSR1CES2BCHE |
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-0794235-B1 | Ternary solid solutions of 1,4-diketo-pyrrolopyrroles and quinacridones | CIBA SC HOLDING AG (CH) | 2000-02-02 | — | — | EP | disclosed |