Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 15/20 | 0.50 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4585637 | 0.88 | NPC1 (0.57) | CASP3NPC1RAB9A | |
| SCHEMBL4424692 | 0.86 | RAB9A (0.59) | CASP3NPC1RAB9A | |
| SCHEMBL4593631 | 0.85 | CASP3 (0.51) | CASP3NPC1RAB9A | |
| SCHEMBL4593399 | 0.82 | CASP3 (0.48) | CASP3NPC1RAB9A | |
| SCHEMBL4593834 | 0.80 | CASP3 (0.49) | CASP3NPC1RAB9A | |
| SCHEMBL4588636 | 0.76 | CASP3 (0.44) | CASP3NPC1RAB9A | |
| SCHEMBL2248381 | 0.76 | NPC1 (0.75) | NPC1RAB9A | |
| SCHEMBL389135 | 0.74 | GBA1 (0.43) | CASP3 | |
| Trifluoroacetic Acid SCHEMBL4586889 | 0.73 | CASP3 (0.43) | CASP3NPC1RAB9A | |
| SCHEMBL4593010 | 0.72 | CASP3 (0.45) | CASP3NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1581213-A4 | 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA INC (US) | 2008-11-19 | — | — | EP | claimed |
| EP-1581213-A1 | 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | Cytovia, Inc. (US) | 2005-10-05 | — | — | EP | claimed |
| WO-2004058253-A1 | 3,5-DISUBSTITUTED-[1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA, INC. (US) | 2004-07-15 | — | — | WO | claimed |