Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 5/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | PTGFR | P43088 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16893141 | 0.89 | NAMPT (0.40) | NAMPTGSK3BLIMK1LIMK2HDAC8 | |
| SCHEMBL16893078 | 0.85 | GSK3B (0.47) | NAMPTGSK3BLIMK1LIMK2PTGFR | |
| SCHEMBL16893017 | 0.84 | ADORA1 (0.46) | NAMPTGSK3BLIMK1LIMK2HDAC8 | |
| SCHEMBL16893034 | 0.82 | ADORA1 (0.48) | MAPK1 | |
| SCHEMBL16893143 | 0.82 | MAPK1 (0.52) | NAMPTGSK3BLIMK1LIMK2HDAC8 | |
| SCHEMBL16893092 | 0.78 | GSK3B (0.41) | NAMPTGSK3BHDAC8HDAC2HDAC6 | |
| SCHEMBL16892977 | 0.76 | AKT3 (0.46) | GSK3BHDAC8HDAC2HDAC6 | |
| SCHEMBL16893059 | 0.72 | AURKA (0.38) | MAPK1KMT2ACHRM4EPHX1 | |
| SCHEMBL5401708 | 0.69 | DHFR (0.41) | MAPK1MEN1KMT2A | |
| SCHEMBL16892992 | 0.69 | ROCK2 (0.43) | FAAHMAPK1MEN1KMT2A |
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 |