Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | PRKACG | P22612 | 1/20 | 0.35 |
| ▸ | PRKACB | P22694 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.34 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1114224 | 0.89 | KDM4E (0.41) | KDM4EALDH1A1 | |
| SCHEMBL1114292 | 0.75 | MEP1B (0.36) | — | |
| SCHEMBL4505012 | 0.68 | HDAC1 (0.44) | SRCPRKACAPRKACGPRKACBCCR9 | |
| SCHEMBL692241 | 0.65 | HSP90AA1 (0.40) | ALDH1A1OPRM1CCR9 | |
| SCHEMBL1114207 | 0.64 | SRC (0.35) | KDM4EALDH1A1OPRL1OPRM1SRC | |
| SCHEMBL1114522 | 0.64 | ALDH1A1 (0.41) | KDM4EALDH1A1 | |
| SCHEMBL16856741 | 0.61 | HDAC6 (0.47) | KDM4EALDH1A1OPRL1OPRM1CHRM5 | |
| SCHEMBL4357500 | 0.60 | HDAC3 (0.46) | — | |
| SCHEMBL5600053 | 0.60 | ALDH1A1 (0.50) | KDM4EALDH1A1HIF1A | |
| SCHEMBL15243043 | 0.59 | HDAC6 (0.48) | KDM4EALDH1A1OPRL1CHRM5CHRM3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2278879-A2 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES | Institute for OneWorld Health (US) | 2011-02-02 | — | — | EP | disclosed |
| WO-2009131957-A2 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES | INSTITUTE FOR ONEWORLD HEALTH (US) | 2009-10-29 | — | — | WO | disclosed |