Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL20283841 | 0.90 | AXL (0.37) | TAS1R3TAS1R1AXLNUDT1BRD4 | |
| SCHEMBL18924352 | 0.82 | TAS1R3 (0.37) | TAS1R3TAS1R1AXLNUDT1BRD4 | |
| SCHEMBL24248223 | 0.78 | AXL (0.36) | TAS1R3TAS1R1AXLNUDT1BRD4 | |
| SCHEMBL2393049 | 0.77 | AXL (0.35) | AXLNUDT1BRD4 | |
| SCHEMBL12310388 | 0.75 | AXL (0.34) | AXLNUDT1BRD4 | |
| SCHEMBL30503530 | 0.73 | AXL (0.41) | AXLNUDT1BRD4 | |
| SCHEMBL4569788 | 0.73 | AXL (0.41) | AXLNUDT1BRD4 | |
| SCHEMBL12259476 | 0.73 | BRD4 (0.33) | AXLNUDT1BRD4 | |
| SCHEMBL23970904 | 0.70 | AXL (0.38) | AXLNUDT1BRD4 | |
| SCHEMBL29982334 | 0.70 | ALDH1A1 (0.44) | — |
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-9701674-B2 | Substituted pyrazines as ATR kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-11 | — | — | US | disclosed |