Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 2/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL799991 | 0.82 | TSHR (0.44) | ALDH1A1TSHRMAPK1TDP1 | |
| SCHEMBL21300009 | 0.81 | CYP2C9 (0.33) | — | |
| SCHEMBL20746752 | 0.81 | — | — | |
| SCHEMBL11393154 | 0.80 | PDE2A (0.44) | PDE2AALDH1A1TSHR | |
| SCHEMBL6680120 | 0.78 | MAPK1 (0.33) | PDE2AALDH1A1MAPK1 | |
| SCHEMBL12419959 | 0.78 | OPRD1 (0.39) | PDE2ATSHRGRIN2B | |
| SCHEMBL8955219 | 0.78 | CA12 (0.35) | ALDH1A1TSHRMAPK1TDP1L3MBTL1 | |
| SCHEMBL1706121 | 0.75 | PDE2A (0.62) | PDE2AAKT1AKT2ALDH1A1TSHR | |
| SCHEMBL13925378 | 0.75 | HIF1A (0.47) | PDE2AAKT1AKT2ALDH1A1 | |
| SCHEMBL14291912 | 0.73 | PDE2A (0.61) | PDE2AAKT1AKT2TSHRGRIN2D |
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-2940017-B1 | Process for making compounds useful as inhibitors of ATR kinase | VERTEX PHARMA (US) | 2019-08-28 | — | — | EP | disclosed |