Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | CASP4 | P49662 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | CASP9 | P55211 | 1/20 | 0.50 |
| ▸ | CASP6 | P55212 | 1/20 | 0.50 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7029422 | 0.91 | CASP1 (0.48) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL23768998 | 0.75 | CASP1 (0.52) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL10511948 | 0.75 | CASP1 (0.49) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL7032529 | 0.75 | KCNJ1 (0.51) | MEN1KMT2AALDH1A1MAPTACHE | |
| SCHEMBL7032882 | 0.75 | ALDH1A1 (0.51) | MEN1KMT2AALDH1A1CYP2C19MAPT | |
| SCHEMBL9304274 | 0.75 | EPHX2 (0.57) | KMT2AALDH1A1LMNACYP2C19CYP2C9 | |
| SCHEMBL2769306 | 0.75 | CASP1 (0.51) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL8177410 | 0.75 | DRD2 (0.49) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL3502333 | 0.74 | AR (0.46) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL3596541 | 0.74 | MAPK1 (0.47) | CASP1CASP3CASP4CASP7CASP9 |
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-0843671-A1 | HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1998-05-27 | — | — | EP | disclosed |
| WO-1997003069-A1 | HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1997-01-30 | — | — | WO | disclosed |