Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 16/20 | 0.48 |
| ▸ | MECP2 | P51608 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17826190 | 0.88 | ATR (0.56) | ATRNPC1ALDH1A1TP53POLB | |
| SCHEMBL17826136 | 0.88 | ATR (0.55) | ATRPIM1PIM3PIM2 | |
| SCHEMBL16420655 | 0.88 | ATR (0.62) | ATR | |
| SCHEMBL17826115 | 0.88 | ATR (0.55) | ATRPIM1PIM3PIM2 | |
| SCHEMBL17826174 | 0.87 | ATR (0.49) | ATRPIM1PIM3PIM2 | |
| SCHEMBL17826108 | 0.87 | ATR (0.46) | ATRATAD2NPC1POLBHPGD | |
| SCHEMBL17826179 | 0.86 | ATR (0.57) | ATRNPC1ALDH1A1TP53HPGD | |
| SCHEMBL17826178 | 0.86 | ATR (0.57) | ATR | |
| SCHEMBL17826189 | 0.85 | ATR (0.57) | ATR | |
| SCHEMBL17826203 | 0.85 | ATR (0.57) | ATRPIM1PIM3PIM2 |
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 |