Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.32 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.31 |
| ▸ | MAT2A | P31153 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL31094902 | 1.00 | CNR2 (0.35) | CNR2ACACBPDCD1CD274GRIA1 | |
| SCHEMBL25801311 | 0.84 | PDCD1 (0.36) | PDCD1CD274 | |
| SCHEMBL25801334 | 0.79 | KDM4E (0.30) | — | |
| SCHEMBL25801365 | 0.78 | PDCD1 (0.35) | PDCD1CD274 | |
| SCHEMBL25801320 | 0.76 | FFAR1 (0.34) | — | |
| SCHEMBL25801394 | 0.76 | — | — | |
| SCHEMBL23901971 | 0.75 | KDM4E (0.39) | ACACB | |
| SCHEMBL18328365 | 0.75 | KDM4E (0.42) | CNR2 | |
| SCHEMBL24152315 | 0.75 | KDM4E (0.30) | — | |
| SCHEMBL21062752 | 0.74 | PDE10A (0.37) | PDCD1CD274PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| CN-113272303-A | Pyrimido five-membered nitrogen heterocyclic derivative, preparation method and application thereof in medicine | 上海拓界生物医药科技有限公司 | 2021-08-17 | — | — | CN | disclosed |