Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 15/20 | 0.60 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL27597069 | 0.89 | CASP3 (0.67) | CASP3CA2CA9SMN1; SMN2NPC1 | |
| SCHEMBL4552299 | 0.80 | CASP3 (0.68) | CASP3CA2CA9SMN1; SMN2NPC1 | |
| SCHEMBL4552076 | 0.76 | CASP3 (1.00) | CASP3CA2CA9NPC1RAB9A | |
| SCHEMBL4552210 | 0.76 | CASP3 (1.00) | CASP3SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4551164 | 0.74 | CASP3 (0.76) | CASP3SMN1; SMN2NPC1RAB9ANPSR1 | |
| SCHEMBL4552118 | 0.73 | CASP3 (0.78) | CASP3SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4551146 | 0.73 | CASP3 (0.78) | CASP3CA2CA9SMN1; SMN2NPC1 | |
| SCHEMBL4416525 | 0.73 | CASP3 (1.00) | CASP3CA2CA9SMN1; SMN2NPC1 | |
| SCHEMBL4422678 | 0.73 | CASP3 (0.78) | CASP3CA2CA9 | |
| SCHEMBL4552238 | 0.71 | CASP3 (1.00) | CASP3CA2CA9SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7435750-B2 | Method of using substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof | CYTOVIA, INC. (US) | 2008-10-14 | — | — | US | disclosed |