Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 19/20 | 0.40 |
| ▸ | CASP8 | Q14790 | 15/20 | 0.40 |
| ▸ | CASP1 | P29466 | 7/20 | 0.40 |
| ▸ | CASP7 | P55210 | 7/20 | 0.40 |
| ▸ | CASP6 | P55212 | 5/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8606968 | 0.91 | CASP3 (0.41) | CASP3CASP8CASP1CASP7CASP6 | |
| SCHEMBL7536650 | 0.90 | MMP2 (0.38) | MMP2MMP9MMP8 | |
| SCHEMBL7535127 | 0.85 | CASP3 (0.47) | CASP3CASP8CASP1CASP7CASP6 | |
| SCHEMBL7540320 | 0.84 | CASP3 (0.49) | CASP3CASP8CASP6 | |
| SCHEMBL7538962 | 0.83 | CASP3 (0.58) | CASP3CASP8CASP7CASP6 | |
| SCHEMBL8608833 | 0.80 | CASP3 (0.44) | CASP3CASP8CASP1CASP7CASP6 | |
| SCHEMBL5970017 | 0.79 | CASP3 (0.42) | CASP3CASP8CASP1CASP7CASP6 | |
| SCHEMBL7536449 | 0.76 | MMP2 (0.36) | CASP3CASP8CASP1CASP6MMP2 | |
| SCHEMBL7543444 | 0.74 | CASP3 (0.49) | CASP3CASP8CASP7CASP6 | |
| SCHEMBL7201731 | 0.72 | CASP3 (0.43) | CASP3CASP8CASP1CASP7CASP6 |
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 |