Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | ACP1 | P24666 | 3/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22587438 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP3A4CLK4TP53USP2 | |
| SCHEMBL22587503 | 0.88 | CYP1A2 (0.48) | CYP1A2CYP3A4CLK4TP53USP2 | |
| SCHEMBL22587470 | 0.88 | HRH4 (0.47) | CYP1A2CYP3A4CLK4TP53USP2 | |
| SCHEMBL22587416 | 0.87 | ACP1 (0.60) | CYP1A2CYP3A4CLK4TP53USP2 | |
| SCHEMBL22606286 | 0.84 | CYP1A2 (0.45) | CYP1A2CYP3A4CLK4TP53USP2 | |
| SCHEMBL29426281 | 0.82 | CYP1A2 (0.47) | CYP1A2CYP3A4CLK4TP53USP2 | |
| SCHEMBL22587464 | 0.82 | CYP1A2 (0.47) | CYP1A2CYP3A4CLK4TP53USP2 | |
| SCHEMBL22587506 | 0.82 | ACP1 (0.62) | CYP1A2CYP3A4CLK4TP53USP2 | |
| SCHEMBL22587476 | 0.82 | ADORA1 (0.47) | CYP1A2CYP3A4CLK4TP53USP2 | |
| SCHEMBL7751195 | 0.81 | ADORA1 (0.67) | CYP1A2CYP3A4CLK4TP53USP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114127063-B | Pyrimidine five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor | 上海仕谱生物科技有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-114127063-A | Pyrimido five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor | 上海仕谱生物科技有限公司 | 2022-03-01 | — | — | CN | disclosed |