Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.47 |
| ▸ | NAMPT | P43490 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | PTAFR | P25105 | 2/20 | 0.41 |
| ▸ | PTGFR | P43088 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16893143 | 0.91 | MAPK1 (0.52) | GSK3BNAMPTADORA1ADORA2AEPHX1 | |
| SCHEMBL16893017 | 0.91 | ADORA1 (0.46) | GSK3BNAMPTADORA1ADORA2AEPHX1 | |
| SCHEMBL16893034 | 0.88 | ADORA1 (0.48) | ADORA1ADORA2ANPSR1PTAFRMAPK1 | |
| SCHEMBL16893141 | 0.88 | NAMPT (0.40) | GSK3BNAMPTEPHX1PTAFRPTGFR | |
| SCHEMBL16893116 | 0.85 | NAMPT (0.38) | GSK3BNAMPTEPHX1PTGFRMAPK1 | |
| SCHEMBL16893092 | 0.77 | GSK3B (0.41) | GSK3BNAMPTEPHX1PTAFRPTGFR | |
| SCHEMBL16893064 | 0.75 | MAPT (0.45) | ADORA1ADORA2AMAPTNPSR1KMT2A | |
| SCHEMBL16892977 | 0.74 | AKT3 (0.46) | GSK3B | |
| SCHEMBL16893059 | 0.74 | AURKA (0.38) | ADORA1ADORA2AEPHX1MAPK1KMT2A | |
| SCHEMBL16892989 | 0.74 | MAPK1 (0.40) | GSK3BADORA1ADORA2AEPHX1MAPK1 |
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 |