Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | RECQL | P46063 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL713394 | 1.00 | CYP2C19 (1.00) | CYP2C19ALDH1A1THRBRECQLTSHR | |
| SCHEMBL29093728 | 1.00 | CYP2C19 (1.00) | CYP2C19ALDH1A1THRBRECQLTSHR | |
| SCHEMBL29093071 | 1.00 | CYP2C19 (1.00) | CYP2C19ALDH1A1THRBRECQLTSHR | |
| SCHEMBL337864 | 1.00 | CYP2C19 (1.00) | CYP2C19ALDH1A1THRBRECQLTSHR | |
| SCHEMBL28581632 | 1.00 | CYP2C19 (1.00) | CYP2C19ALDH1A1THRBRECQLTSHR | |
| SCHEMBL27556706 | 0.96 | CYP2C19 (0.92) | CYP2C19ALDH1A1THRBRECQLTSHR | |
| SCHEMBL17760625 | 0.84 | CYP2C19 (0.71) | CYP2C19ALDH1A1THRBRECQLTSHR | |
| SCHEMBL16796397 | 0.84 | — | — | |
| SCHEMBL4651058 | 0.83 | CYP2C19 (0.69) | CYP2C19ALDH1A1THRBRECQLTSHR | |
| Alcohol SCHEMBL27835178 | 0.83 | CYP2C19 (0.69) | CYP2C19ALDH1A1THRBRECQLTSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | claimed |
| CN-116947925-A | Bridged biphenyl monophosphine ligand containing benzofuran structure, and preparation method and application thereof | 中山大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | disclosed |
| CN-106831862-B | Chiral bridged axial chiral monophosphine ligand and preparation method thereof | 中山大学 | 2021-01-15 | — | — | CN | disclosed |