Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | STK17B | O94768 | 1/20 | 0.33 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26089115 | 0.86 | ATR (0.40) | ATRP2RX3MAPKAPK2METAP1MAP4K4 | |
| SCHEMBL9939369 | 0.85 | ATR (0.46) | ATRP2RX3MAPKAPK2METAP1MAP4K4 | |
| SCHEMBL26441879 | 0.81 | DPP4 (0.40) | ATRP2RX3 | |
| SCHEMBL16879643 | 0.79 | ATR (0.44) | ATRP2RX3MAPKAPK2METAP1TRPA1 | |
| SCHEMBL535514 | 0.78 | ATR (0.43) | ATRP2RX3MAPKAPK2METAP1TRPA1 | |
| SCHEMBL23024976 | 0.77 | ATR (0.40) | ATRP2RX3MAPKAPK2METAP1MAP4K4 | |
| SCHEMBL30083665 | 0.77 | ATR (0.55) | ATRP2RX3MAPKAPK2METAP1TRPA1 | |
| SCHEMBL2770021 | 0.77 | ATR (0.55) | ATRP2RX3MAPKAPK2METAP1TRPA1 | |
| SCHEMBL1581324 | 0.77 | ATR (0.42) | ATRP2RX3MAPKAPK2METAP1TRPA1 | |
| SCHEMBL29364468 | 0.77 | ATR (0.42) | ATRP2RX3MAPKAPK2METAP1TRPA1 |
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-9732080-B2 | Azaindole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-08-15 | — | — | US | disclosed |