Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.75 |
| ▸ | ESR1 | P03372 | 4/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL789244 | 1.00 | TDP1 (0.75) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Water SCHEMBL15573538 | 0.87 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL101 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL2085135 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Benzene SCHEMBL6890099 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL5028587 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL5839090 | 0.84 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL1654102 | 0.84 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Formaldehyde SCHEMBL10734165 | 0.84 | CYP3A4 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL48782 | 0.84 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114436949-A | Tetradentate ligand and metal complex, and preparation method and application thereof | 上海巽田科技股份有限公司 | 2022-05-06 | — | — | CN | claimed |
| CN-114436949-B | Tetradentate ligand, metal complex, and preparation methods and applications thereof | 上海巽田科技股份有限公司 | 2023-09-22 | — | — | CN | disclosed |
| CN-114436949-A | Tetradentate ligand and metal complex, and preparation method and application thereof | 上海巽田科技股份有限公司 | 2022-05-06 | — | — | CN | disclosed |