Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 9/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 9/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16892989 | 0.79 | MAPK1 (0.40) | MAPK1ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16893090 | 0.77 | AURKA (0.45) | MAPK1ADORA2AADORA1 | |
| SCHEMBL16893143 | 0.76 | MAPK1 (0.52) | MAPK1KMT2AADORA2AADORA1 | |
| SCHEMBL16893104 | 0.74 | MAPK8 (0.41) | MAPK1CYP2C9 | |
| SCHEMBL16893126 | 0.73 | MAPT (0.54) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16893078 | 0.73 | GSK3B (0.47) | MAPK1HTTKMT2AADORA2AADORA1 | |
| SCHEMBL16893083 | 0.71 | ALDH1A1 (0.44) | MAPK1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL16893017 | 0.71 | ADORA1 (0.46) | MAPK1ADORA2AADORA1 | |
| SCHEMBL16893034 | 0.70 | ADORA1 (0.48) | MAPK1ALDH1A1CYP3A4CYP2C19HTT | |
| SCHEMBL16893141 | 0.69 | NAMPT (0.40) | MAPK1 |
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 |