Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 17/20 | 0.45 |
| ▸ | CASP7 | P55210 | 17/20 | 0.45 |
| ▸ | CASP9 | P55211 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13097237 | 0.86 | CYP1A2 (0.35) | CASP3CASP7CASP1CASP6 | |
| SCHEMBL9893174 | 0.83 | TP53 (0.46) | — | |
| SCHEMBL31295618 | 0.80 | CASP3 (0.46) | CASP3CASP7CASP9CASP1KCNH2 | |
| SCHEMBL13269872 | 0.80 | CASP3 (0.46) | CASP3CASP7CASP9KCNH2HRH3 | |
| SCHEMBL18693375 | 0.78 | CASP3 (0.45) | CASP3CASP7CASP9KCNH2HRH3 | |
| SCHEMBL3789004 | 0.78 | CASP3 (0.45) | CASP3CASP7CASP9KCNH2HRH3 | |
| SCHEMBL27722084 | 0.78 | CASP3 (0.45) | CASP3CASP7CASP9KCNH2HRH3 | |
| SCHEMBL13269871 | 0.78 | CASP3 (0.45) | CASP3CASP7CASP9KCNH2HRH3 | |
| SCHEMBL13269870 | 0.78 | CASP3 (0.45) | CASP3CASP7CASP9KCNH2HRH3 | |
| SCHEMBL16480385 | 0.78 | ALDH1A1 (0.42) | — |
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-1912645-A2 | THERAPEUTIC AGENT FOR DIABETES | Takeda Pharmaceutical Company Limited (JP) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007018314-A2 | THERAPEUTIC AGENT FOR DIABETES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-02-15 | — | — | WO | disclosed |