Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | YAP1 | P46937 | 3/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 8/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18459337 | 1.00 | YAP1 (0.48) | YAP1P2RX7BACE1CTSSCTSK | |
| SCHEMBL15075586 | 0.87 | ACACB (0.49) | YAP1P2RX7BACE1CYP3A4TSHR | |
| SCHEMBL15048243 | 0.87 | ACACB (0.49) | YAP1P2RX7BACE1CYP3A4TSHR | |
| SCHEMBL15083952 | 0.85 | CCR1 (0.48) | P2RX7BACE1CTSSCTSKCYP3A4 | |
| SCHEMBL16214228 | 0.82 | ACACB (0.54) | YAP1P2RX7BACE1CTSSCTSK | |
| SCHEMBL20101866 | 0.81 | CTSS (0.46) | CTSSCTSKCYP3A4TSHR | |
| SCHEMBL21248948 | 0.79 | SYK (0.49) | YAP1P2RX7BACE1 | |
| SCHEMBL796329 | 0.79 | NAMPT (0.54) | — | |
| SCHEMBL31604809 | 0.78 | YAP1 (0.49) | YAP1P2RX7CTSSCTSK | |
| SCHEMBL31604808 | 0.77 | PPARA (0.46) | YAP1P2RX7CTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| CN-107849059-B | 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds and their use as inhibitors of mutant IDH1 | 伊莱利利公司 | 2020-04-28 | — | — | CN | disclosed |
| 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 |
| WO-2017019429-A1 | 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIT USE AS MUTANT IDH1 INHIBITORS | ELI LILLY AND COMPANY (US) | 2017-02-02 | — | — | WO | disclosed |