Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 7/20 | 0.46 |
| ▸ | CASP3 | P42574 | 8/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 4/20 | 0.37 |
| ▸ | CASP8 | Q14790 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7535926 | 0.83 | CASP3 (0.48) | CASP3CASP6CASP8 | |
| SCHEMBL5970178 | 0.83 | CASP1 (0.32) | CASP1 | |
| SCHEMBL5969967 | 0.83 | CASP3 (0.39) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL5970067 | 0.83 | PYGL (0.36) | CASP1MAPTMEN1POLBKMT2A | |
| SCHEMBL5970304 | 0.81 | CASP1 (0.37) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL7536333 | 0.71 | CASP3 (0.33) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL7540320 | 0.66 | CASP3 (0.49) | CASP3CASP6CASP8 | |
| SCHEMBL7537055 | 0.66 | — | — | |
| SCHEMBL7535127 | 0.62 | CASP3 (0.47) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL6595219 | 0.62 | MAP2 (0.42) | PARP1MAPTALDH1A1 |
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-1159291-A1 | C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | Idun Pharmaceuticals, Inc. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2001000658-A1 | C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | IDUN PHARMACEUTICALS, INC. (US) | 2001-01-04 | — | — | WO | disclosed |