Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 6/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.36 |
| ▸ | ATR | Q13535 | 4/20 | 0.36 |
| ▸ | ATRIP | Q8WXE1 | 4/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 14/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17849225 | 1.00 | PDCD1 (0.36) | PDCD1CD274ATRATRIPCHEK1 | |
| SCHEMBL17849188 | 0.85 | EGFR (0.40) | — | |
| SCHEMBL16623493 | 0.81 | TYK2 (0.39) | — | |
| SCHEMBL16623503 | 0.79 | EGFR (0.35) | — | |
| SCHEMBL17849249 | 0.78 | EGFR (0.40) | — | |
| SCHEMBL17849244 | 0.78 | TYK2 (0.40) | — | |
| SCHEMBL18052623 | 0.78 | EGFR (0.36) | — | |
| SCHEMBL17849247 | 0.77 | MAPT (0.41) | — | |
| SCHEMBL16623578 | 0.77 | EGFR (0.35) | — | |
| SCHEMBL17849221 | 0.77 | EIF2AK2 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| EP-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |