Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.68 |
| ▸ | LMNA | P02545 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.68 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.57 |
| ▸ | FAAH | O00519 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | BRD4 | O60885 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL31010255 | 1.00 | KDM4E (0.68) | KDM4ELMNAALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL23507365 | 0.98 | KDM4E (0.70) | KDM4ELMNAALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL27318452 | 0.87 | KDM4E (0.60) | KDM4ELMNAALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL14980282 | 0.84 | SMN1; SMN2 (0.69) | KDM4ELMNAALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL31428721 | 0.84 | ALDH1A1 (0.69) | KDM4ELMNAALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL3707217 | 0.84 | LMNA (0.65) | KDM4ELMNAALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL28228172 | 0.82 | HRH3 (0.59) | KDM4ELMNAALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL23775340 | 0.81 | KDM4E (0.66) | KDM4ELMNAALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL14375211 | 0.81 | ACHE (0.62) | KDM4ELMNAALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL8821312 | 0.81 | KDM4E (0.62) | KDM4ELMNAALDH1A1SMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | WO | disclosed |