Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 16/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16420531 | 0.87 | ATR (0.53) | ATRNPC1RAB9A | |
| SCHEMBL16420459 | 0.85 | ATR (0.58) | ATRNPC1RAB9A | |
| SCHEMBL16420494 | 0.79 | ATR (0.66) | ATRHPGDNPC1RAB9A | |
| SCHEMBL16420736 | 0.77 | ATR (0.67) | ATRGAAHPGDNPC1RAB9A | |
| SCHEMBL16420746 | 0.76 | ATR (0.68) | ATR | |
| SCHEMBL16420618 | 0.76 | ATR (0.58) | ATR | |
| SCHEMBL17826108 | 0.76 | ATR (0.46) | ATRHPGDNPC1RAB9A | |
| SCHEMBL16420550 | 0.76 | ATR (0.70) | ATR | |
| SCHEMBL19101109 | 0.76 | ATR (0.55) | ATR | |
| SCHEMBL16420469 | 0.76 | ATR (0.71) | ATRNPC1RAB9A |
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 |