Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2787907 | 0.88 | TDP1 (0.37) | TDP1CYP2A6TP53ALDH1A1ACHE | |
| SCHEMBL20198342 | 0.85 | — | — | |
| SCHEMBL4405127 | 0.84 | TSHR (0.33) | ALOX12ACHELMNATSHR | |
| SCHEMBL360036 | 0.83 | TDP1 (0.42) | TDP1CYP2A6TP53ALDH1A1ACHE | |
| SCHEMBL30899314 | 0.83 | TDP1 (0.42) | TDP1CYP2A6TP53ALDH1A1ACHE | |
| SCHEMBL11196288 | 0.82 | CYP2A6 (0.35) | TDP1CYP2A6TP53ALDH1A1ALOX12 | |
| SCHEMBL18724074 | 0.81 | ALDH1A1 (0.42) | TDP1ALDH1A1MAPTLMNATSHR | |
| SCHEMBL4403212 | 0.81 | TDP1 (0.32) | TDP1CYP2A6ALDH1A1ALOX12ACHE | |
| SCHEMBL3190775 | 0.80 | CYP2A6 (0.37) | TDP1CYP2A6TP53ALDH1A1ALOX12 | |
| SCHEMBL424810 | 0.80 | CYP2A6 (0.37) | TDP1CYP2A6TP53ALDH1A1ALOX12 |
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-108047162-A | Diaryl sulfoxide and sulfone derivative, and preparation method and application thereof | 中山万远新药研发有限公司 | 2018-05-18 | — | — | CN | disclosed |