Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 15/20 | 0.36 |
| ▸ | CASP6 | P55212 | 14/20 | 0.36 |
| ▸ | CASP8 | Q14790 | 14/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL627300 | 1.00 | CYP2D6 (0.37) | CYP2D6CASP3CASP6CASP8CASP7 | |
| SCHEMBL4421626 | 1.00 | CYP2D6 (0.37) | CYP2D6CASP3CASP6CASP8CASP7 | |
| SCHEMBL23268871 | 0.92 | CYP2D6 (0.36) | CYP2D6CASP3CASP6CASP8CASP7 | |
| SCHEMBL4424248 | 0.92 | CYP2D6 (0.36) | CYP2D6CASP3CASP6CASP8CASP7 | |
| SCHEMBL7199035 | 0.86 | CASP3 (0.45) | CASP3CASP6CASP8CASP7 | |
| SCHEMBL12716141 | 0.83 | CYP2D6 (0.35) | CYP2D6CASP3CASP6CASP8CASP7 | |
| SCHEMBL20827204 | 0.83 | MAPT (0.36) | CYP2D6CASP3CASP6CASP8CASP7 | |
| SCHEMBL7357612 | 0.81 | MAPK1 (0.40) | CASP3CASP6CASP8ALDH1A1 | |
| SCHEMBL4420429 | 0.81 | MAPK1 (0.40) | CASP3CASP6CASP8ALDH1A1 | |
| SCHEMBL79263 | 0.81 | MAPT (0.35) | CYP2D6CASP3CASP6CASP8CASP7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012021800-A2 | CASPASE INHIBITORS AS THERAPEUTICS FOR NEURAL AND ORGAN INJURY AND IMAGING | BANYAN BIOMARKERS (US) | 2012-02-16 | — | — | WO | disclosed |
| WO-2012021800-A2 | CASPASE INHIBITORS AS THERAPEUTICS FOR NEURAL AND ORGAN INJURY AND IMAGING | BANYAN BIOMARKERS (US) | 2012-02-16 | — | — | WO | disclosed |
| EP-1351975-A2 | C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | Idun Pharmaceuticals, Inc. (US) | 2003-10-15 | — | — | EP | disclosed |
| WO-2002057298-A2 | C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | IDUN PHARMACEUTICALS, INC. (US) | 2002-07-25 | — | — | WO | disclosed |