Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | PGK2 | P07205 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL3403278 | 1.00 | PGK1 (0.33) | PGK1PGK2NR3C1PGRNR3C2 | |
| SCHEMBL319124 | 0.84 | IDO1 (0.42) | IDO1ERN1CYP4F2CYP4A11 | |
| SCHEMBL1922913 | 0.84 | PGK1 (0.39) | PGK1PGK2NR3C1PGRNR3C2 | |
| SCHEMBL8125707 | 0.81 | ALDH1A1 (0.36) | ACHERAPGEF4PTGS1PTGS2NTRK1 | |
| SCHEMBL14570491 | 0.77 | ACHE (0.39) | PGK1PGK2NR3C1PGRNR3C2 | |
| SCHEMBL10225884 | 0.76 | PGK1 (0.39) | PGK1PGK2RAPGEF4PTGS1PTGS2 | |
| SCHEMBL7499745 | 0.75 | ACHE (0.37) | PGK1PGK2NR3C1PGRNR3C2 | |
| SCHEMBL2662788 | 0.75 | ACHE (0.37) | PGK1PGK2NR3C1PGRNR3C2 | |
| SCHEMBL3396094 | 0.74 | AKR1B1 (0.33) | IDO1NTRK1 | |
| SCHEMBL13224583 | 0.74 | CA12 (0.50) | ACHEPTGS1IDO1ERN1CYP4F2 |
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-116589454-A | Aromatic heterocyclic compound, preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2023-08-15 | — | — | CN | disclosed |