Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2244692 | 0.76 | ALDH1A1 (0.51) | NPC1RAB9AADRB1 | |
| Hydrochloric Acid SCHEMBL2247573 | 0.74 | ALDH1A1 (0.50) | NPC1RAB9AADRB1 | |
| SCHEMBL11988503 | 0.74 | ADRB2 (0.49) | NPC1RAB9AHRH1 | |
| Hydrochloric Acid SCHEMBL2247082 | 0.73 | ADRB2 (0.47) | NPC1RAB9AHRH1 | |
| SCHEMBL4586732 | 0.71 | MEN1 (0.45) | NPC1RAB9AHTR2CHRH1 | |
| SCHEMBL30579597 | 0.69 | NPC1 (0.41) | NPC1RAB9AADRB1HRH1 | |
| SCHEMBL2248381 | 0.69 | NPC1 (0.75) | NPC1RAB9AADRB1 | |
| SCHEMBL9119904 | 0.67 | HTR6 (0.46) | HTR2CADRB1 | |
| SCHEMBL4585928 | 0.67 | CASP3 (0.50) | CASP3NPC1RAB9AHTR2C | |
| SCHEMBL21938846 | 0.65 | FEN1 (0.40) | NPC1RAB9AHTR2CADRB1HRH1 |
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 |