Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 15/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL4587506 | 0.81 | CASP3 (0.68) | CASP3GRM5RAB9A | |
| SCHEMBL4587239 | 0.77 | CASP3 (0.72) | CASP3SMN1; SMN2 | |
| SCHEMBL4552076 | 0.72 | CASP3 (1.00) | CASP3NPC1RAB9ATDP1MAPK1 | |
| SCHEMBL4415506 | 0.72 | CASP3 (0.68) | CASP3GRM5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4552769 | 0.71 | CASP3 (0.78) | CASP3GRM5 | |
| SCHEMBL4586852 | 0.71 | CASP3 (0.67) | CASP3NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL4593616 | 0.70 | CASP3 (0.62) | CASP3NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL4586808 | 0.69 | CASP3 (0.69) | CASP3GRM5 | |
| SCHEMBL4552210 | 0.69 | CASP3 (1.00) | CASP3NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL4587234 | 0.69 | CASP3 (0.63) | CASP3NPC1RAB9ASMN1; SMN2POLB |
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-7144876-B2 | 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof | CYTOVIA, INC. (US) | 2006-12-05 | — | — | US | claimed |