Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | VHL | P40337 | 1/20 | 0.35 |
| ▸ | ELOC | Q15369 | 1/20 | 0.35 |
| ▸ | ELOB | Q15370 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18426712 | 1.00 | PRSS1 (0.41) | PRSS1PRSS2PRSS3TSHRESR1 | |
| SCHEMBL113930 | 0.80 | IDO1 (0.52) | TSHRESR1ESR2NOS3NOS1 | |
| SCHEMBL7544326 | 0.80 | ESR1 (0.52) | PRSS1PRSS2PRSS3TSHRESR1 | |
| SCHEMBL40702 | 0.78 | NOS3 (0.42) | PRSS1PRSS2PRSS3TSHRESR1 | |
| SCHEMBL18118664 | 0.78 | NOS3 (0.42) | PRSS1PRSS2PRSS3TSHRESR1 | |
| SCHEMBL23040222 | 0.76 | TSHR (0.40) | PRSS1PRSS2PRSS3TSHRESR1 | |
| SCHEMBL1936039 | 0.76 | ADRB2 (0.50) | PRSS1PRSS2PRSS3TSHRESR1 | |
| SCHEMBL18426926 | 0.76 | ADRB2 (0.50) | PRSS1PRSS2PRSS3TSHRESR1 | |
| Alcohol SCHEMBL5309262 | 0.76 | IDO1 (0.48) | TSHRESR1ESR2NOS3NOS1 | |
| SCHEMBL1754169 | 0.76 | ADRB2 (0.50) | PRSS1PRSS2PRSS3TSHRESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3328866-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) | 2018-06-06 | — | — | 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 |