Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 14/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL987799 | 0.78 | THRB (0.55) | THRBTDP1APEX1PDK2ALDH1A1 | |
| SCHEMBL3633870 | 0.76 | THRB (0.48) | THRBTDP1APEX1PDK2ALDH1A1 | |
| SCHEMBL524337 | 0.72 | THRB (0.59) | THRBTDP1APEX1PDK2ALDH1A1 | |
| SCHEMBL31396310 | 0.72 | THRB (0.59) | THRBTDP1APEX1PDK2ALDH1A1 | |
| Bromide SCHEMBL27743798 | 0.71 | THRB (0.57) | THRBTDP1APEX1PDK2ALDH1A1 | |
| SCHEMBL7595167 | 0.70 | APEX1 (0.41) | THRBTDP1APEX1PDK2ALDH1A1 | |
| Bicarbonate SCHEMBL6863236 | 0.69 | THRB (0.60) | THRBTDP1APEX1PDK2ALDH1A1 | |
| SCHEMBL6651297 | 0.68 | THRB (0.41) | THRBTDP1APEX1ALDH1A1MAPT | |
| Bromomethane SCHEMBL208930 | 0.68 | THRB (0.53) | THRBTDP1APEX1PDK2ALDH1A1 | |
| SCHEMBL18663304 | 0.67 | THRB (0.64) | THRBTDP1APEX1PDK2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110840847-B | Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases | 沃泰克斯药物股份有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-106163517-B | Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases | 沃泰克斯药物股份有限公司 | 2020-08-14 | — | — | CN | disclosed |
| CN-110840847-A | Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases | 沃泰克斯药物股份有限公司 | 2020-02-28 | — | — | CN | disclosed |
| CN-106279110-A | Heterocyclic compound, medicine containing described compound and application thereof and its preparation method | 勃林格殷格翰国际有限公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-104024244-B | Heterocyclic compounds, medicaments containing said compounds, their use and processes for their preparation | 勃林格殷格翰国际有限公司 | 2016-09-14 | — | — | CN | disclosed |