Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.72 |
| ▸ | CASP3 | P42574 | 3/20 | 0.72 |
| ▸ | CAPN1 | P07384 | 13/20 | 0.68 |
| ▸ | CAPNS1 | P04632 | 2/20 | 0.66 |
| ▸ | CTSK | P43235 | 4/20 | 0.65 |
| ▸ | CASP6 | P55212 | 2/20 | 0.59 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.59 |
| ▸ | CASP7 | P55210 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL8812453 | 1.00 | CASP1 (0.72) | CASP1CASP3CAPN1CAPNS1CTSK | |
| SCHEMBL8809577 | 0.88 | CAPN1 (0.71) | CASP1CASP3CAPN1CAPNS1CTSK | |
| SCHEMBL8809563 | 0.88 | CAPN1 (0.71) | CASP1CASP3CAPN1CAPNS1CTSK | |
| SCHEMBL7515201 | 0.86 | CAPN1 (0.59) | CASP1CASP3CAPN1CAPNS1CTSK | |
| SCHEMBL8810401 | 0.86 | CAPN1 (0.65) | CASP1CASP3CAPN1CAPNS1CTSK | |
| SCHEMBL8810412 | 0.86 | CAPN1 (0.65) | CASP1CASP3CAPN1CAPNS1CTSK | |
| SCHEMBL8810040 | 0.85 | CAPN1 (0.70) | CASP1CASP3CAPN1CAPNS1CTSK | |
| SCHEMBL8810031 | 0.85 | CAPN1 (0.70) | CASP1CASP3CAPN1CAPNS1CTSK | |
| SCHEMBL8408034 | 0.85 | CAPN1 (0.71) | CASP1CASP3CAPN1CAPNS1CTSK | |
| SCHEMBL8408028 | 0.85 | CAPN1 (0.71) | CASP1CASP3CAPN1CAPNS1CTSK |
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-0810221-A1 | OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-12-03 | — | — | EP | disclosed |