Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | VEGFA | P15692 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18459272 | 1.00 | RORC (0.50) | RORCALDH1A1HTTNPC1MAPT | |
| SCHEMBL18459273 | 0.84 | HTT (0.51) | ALDH1A1HTTNPC1MAPTMAPK1 | |
| SCHEMBL18459829 | 0.84 | HTT (0.51) | ALDH1A1HTTNPC1MAPTMAPK1 | |
| SCHEMBL30620505 | 0.83 | RORC (0.53) | RORCALDH1A1HTTPARP1VEGFA | |
| SCHEMBL27253377 | 0.83 | RORC (0.56) | RORCPARP1MGLLHDAC1 | |
| SCHEMBL19173661 | 0.83 | RORC (0.53) | RORCALDH1A1MAPK1OPRD1OPRK1 | |
| SCHEMBL21518022 | 0.83 | ALDH1A1 (0.42) | ALDH1A1HTTSMN1; SMN2CYP2D6HRH3 | |
| SCHEMBL21518024 | 0.83 | ALDH1A1 (0.42) | ALDH1A1HTTSMN1; SMN2CYP2D6HRH3 | |
| SCHEMBL20304882 | 0.82 | RORC (0.52) | RORCALDH1A1HTTMAPTL3MBTL1 | |
| SCHEMBL23003391 | 0.81 | CYP3A4 (0.52) | RORCALDH1A1CYP2D6GPR119 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3328866-B1 | 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIT USE AS MUTANT IDH1 INHIBITORS | LILLY CO ELI (US) | 2019-10-30 | — | — | EP | disclosed |