Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | PTAFR | P25105 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 4/20 | 0.38 |
| ▸ | PTGFR | P43088 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16893078 | 0.91 | GSK3B (0.47) | ADORA1PTAFRMAPK1GSK3BLIMK1 | |
| SCHEMBL16893143 | 0.91 | MAPK1 (0.52) | ADORA1PTAFRMAPK1GSK3BLIMK1 | |
| SCHEMBL16893141 | 0.88 | NAMPT (0.40) | PTAFRMAPK1GSK3BLIMK1LIMK2 | |
| SCHEMBL16893034 | 0.88 | ADORA1 (0.48) | ADORA1PTAFRMAPK1ADORA2A | |
| SCHEMBL16893116 | 0.84 | NAMPT (0.38) | MAPK1GSK3BLIMK1LIMK2NAMPT | |
| SCHEMBL16893092 | 0.77 | GSK3B (0.41) | PTAFRMAPK1GSK3BNAMPTPTGFR | |
| SCHEMBL16893103 | 0.76 | ADORA1 (0.54) | ADORA1MAPK1ADORA2A | |
| SCHEMBL16892977 | 0.73 | AKT3 (0.46) | GSK3BCDK2HDAC2HDAC8HDAC6 | |
| SCHEMBL5397397 | 0.71 | ADORA1 (0.66) | ADORA1ADORA2A | |
| SCHEMBL16893082 | 0.71 | OPRM1 (0.42) | ADORA1MAPK1ADORA2A |
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 |