Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | FOS | P01100 | 1/20 | 0.32 |
| ▸ | JUN | P05412 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16134092 | 0.80 | LMNA (0.40) | HTTALDH1A1LMNAKDM4ESYK | |
| SCHEMBL25100451 | 0.77 | SMN1; SMN2 (0.34) | HTTALDH1A1LMNASMN1; SMN2MAPT | |
| SCHEMBL1521589 | 0.75 | HTT (0.51) | HTTALDH1A1LMNAKDM4ESYK | |
| SCHEMBL1521534 | 0.75 | LMNA (0.39) | HTTALDH1A1LMNAKDM4ESYK | |
| SCHEMBL3965244 | 0.75 | LMNA (0.39) | HTTALDH1A1LMNAKDM4ESYK | |
| SCHEMBL29541506 | 0.75 | LMNA (0.39) | HTTALDH1A1LMNAKDM4ESYK | |
| SCHEMBL30346051 | 0.75 | LMNA (0.39) | HTTALDH1A1LMNAKDM4ESYK | |
| SCHEMBL27607938 | 0.75 | LMNA (0.36) | HTTALDH1A1LMNAKDM4ESYK | |
| Hydrochloric Acid SCHEMBL3582648 | 0.74 | LMNA (0.38) | HTTALDH1A1LMNAKDM4ESYK | |
| SCHEMBL22591153 | 0.74 | MEN1 (0.30) | MEN1KMT2A |
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 |