Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 14/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.48 |
| ▸ | RAB9A | P51151 | 11/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 10/20 | 0.48 |
| ▸ | NPC1 | O15118 | 9/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.48 |
| ▸ | RELA | Q04206 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 9/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16420465 | 0.87 | ATR (0.54) | KDM4EALDH1A1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL17826189 | 0.84 | ATR (0.57) | ATR | |
| SCHEMBL17826192 | 0.84 | ATR (0.54) | MAPK1ATRL3MBTL1 | |
| SCHEMBL17826193 | 0.83 | ATR (0.39) | KDM4EALDH1A1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL17826131 | 0.83 | ATR (0.53) | KDM4EALDH1A1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL17826108 | 0.83 | ATR (0.46) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL17826168 | 0.82 | ATR (0.43) | KDM4EATR | |
| SCHEMBL17826198 | 0.82 | ATR (0.45) | KDM4EGAAMEN1KMT2AATR | |
| SCHEMBL17826137 | 0.81 | ATR (0.43) | ATR | |
| SCHEMBL17826200 | 0.81 | ATR (0.51) | KDM4EALDH1A1RAB9ASMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9365557-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |