Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5110282 | 0.83 | HTT (0.50) | NPSR1HTTALDH1A1POLBP2RX7 | |
| SCHEMBL403900 | 0.82 | HTT (0.54) | NPSR1HTTALDH1A1POLBP2RX7 | |
| SCHEMBL2773430 | 0.82 | HTT (0.46) | NPSR1HTTHIF1AALDH1A1POLB | |
| SCHEMBL534838 | 0.81 | ALDH1A1 (0.45) | NPSR1HTTALDH1A1POLBPYCR1 | |
| SCHEMBL30349567 | 0.77 | ALDH1A1 (0.50) | NPSR1HTTALDH1A1P2RX7PDK1 | |
| SCHEMBL14660970 | 0.77 | ALDH1A1 (0.50) | NPSR1HTTALDH1A1P2RX7PDK1 | |
| SCHEMBL14183081 | 0.76 | POLB (0.59) | NPSR1HTTPOLB | |
| SCHEMBL11112081 | 0.75 | FFAR1 (0.51) | ALDH1A1P2RX7FFAR1MRGPRX4 | |
| SCHEMBL2773568 | 0.74 | MEP1A (0.57) | PDK1FFAR1PDCD1CD274 | |
| SCHEMBL5912934 | 0.74 | HTT (0.45) | NPSR1HTTALDH1A1P2RX7PDK1 |
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-2414341-A2 | OXADIAZOLE DERIVATIVES | Merck Serono SA (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010115751-A2 | OXADIAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2010-10-14 | — | — | WO | disclosed |