Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 6/20 | 0.40 |
| ▸ | PTGFR | P43088 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PTAFR | P25105 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL16893116 | 0.89 | NAMPT (0.38) | NAMPTPTGFRGSK3BPIK3CDCHRM4 | |
| SCHEMBL16893092 | 0.89 | GSK3B (0.41) | NAMPTPTGFRNPC1RAB9APTAFR | |
| SCHEMBL16893078 | 0.88 | GSK3B (0.47) | NAMPTPTGFRNPC1RAB9APTAFR | |
| SCHEMBL16893017 | 0.88 | ADORA1 (0.46) | NAMPTPTGFRPTAFRGSK3BPIK3CD | |
| SCHEMBL16893034 | 0.84 | ADORA1 (0.48) | PTAFRMAPK1 | |
| SCHEMBL16893143 | 0.84 | MAPK1 (0.52) | NAMPTNPC1RAB9APTAFRGSK3B | |
| SCHEMBL16893059 | 0.83 | AURKA (0.38) | CHRM4MAPK1EPHX1 | |
| SCHEMBL16892992 | 0.79 | ROCK2 (0.43) | MAPK1 | |
| SCHEMBL16892986 | 0.78 | FAAH (0.41) | CHRM4MAPK1 | |
| SCHEMBL16892977 | 0.78 | AKT3 (0.46) | GSK3BHDAC2HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | claimed |