Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.45 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | KDM6B | O15054 | 1/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.41 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2771877 | 0.95 | PTGS2 (0.52) | PTGS2VCAM1CMA1KDM4EPKM | |
| SCHEMBL2776075 | 0.91 | TTR (0.50) | RAD52KDM4EALDH1A1TDP1TTR | |
| SCHEMBL2775559 | 0.80 | S1PR1 (0.41) | RAD52PKMALDH1A1TDP1TTR | |
| SCHEMBL410258 | 0.79 | PDK2 (0.51) | PTGS2KDM4EALDH1A1GAAHPGD | |
| SCHEMBL28268790 | 0.78 | KDM4E (0.54) | KDM4EALDH1A1GAAHPGDTDP1 | |
| SCHEMBL8895570 | 0.77 | PTGS2 (0.60) | PTGS2VCAM1CMA1KDM4EPKM | |
| SCHEMBL408614 | 0.77 | XDH (0.59) | PTGS2KDM4EALDH1A1GAAHPGD | |
| SCHEMBL30031799 | 0.76 | VCAM1 (0.57) | PTGS2VCAM1CMA1KDM4EALDH1A1 | |
| SCHEMBL1495428 | 0.76 | VCAM1 (0.57) | PTGS2VCAM1CMA1KDM4EALDH1A1 | |
| SCHEMBL2774426 | 0.76 | PTGS2 (0.46) | PTGS2KDM4EPKMALDH1A1GAA |
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-2193125-A2 | OXADIAZOLE DERIVATIVES | Merck Serono S.A. (CH) | 2010-06-09 | — | — | EP | disclosed |
| WO-2009043889-A2 | OXADIAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2009-04-09 | — | — | WO | disclosed |