Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | PTAFR | P25105 | 11/20 | 0.47 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
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 | 0.88 | GSK3B (0.47) | ADORA1PTAFRMAPK1NPSR1HTT | |
| SCHEMBL16893017 | 0.88 | ADORA1 (0.46) | ADORA1PTAFRMAPK1ADORA2A | |
| SCHEMBL16893143 | 0.86 | MAPK1 (0.52) | ADORA1PTAFRMAPK1ADORA2A | |
| SCHEMBL16893141 | 0.84 | NAMPT (0.40) | PTAFRMAPK1 | |
| SCHEMBL16893116 | 0.82 | NAMPT (0.38) | MAPK1 | |
| SCHEMBL16893046 | 0.77 | ADORA1 (0.56) | ADORA1HPGDALDH1A1NPSR1L3MBTL1 | |
| SCHEMBL16893092 | 0.74 | GSK3B (0.41) | PTAFRMAPK1 | |
| SCHEMBL5410470 | 0.72 | ADORA1 (0.65) | ADORA1MAPK1NPSR1HTTL3MBTL1 | |
| SCHEMBL16892977 | 0.72 | AKT3 (0.46) | — | |
| SCHEMBL5415783 | 0.71 | ADORA1 (0.57) | ADORA1MAPK1HPGDALDH1A1NPSR1 |
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 |