Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL16409147 | 0.82 | TSHR (0.41) | TSHRNFKB1CYP2C19 | |
| SCHEMBL16369930 | 0.82 | TSHR (0.45) | TSHRNFKB1CYP2C19FFAR3 | |
| SCHEMBL10574423 | 0.81 | TSHR (0.43) | TSHRNFKB1CYP2C19FFAR3 | |
| SCHEMBL9067554 | 0.81 | TSHR (0.48) | TSHRNFKB1CYP2C19FFAR3 | |
| SCHEMBL8613670 | 0.81 | TSHR (0.43) | TSHRNFKB1CYP2C19FFAR3 | |
| SCHEMBL771854 | 0.79 | TSHR (0.42) | TSHRNFKB1CYP2C19FFAR3 | |
| Hydrochloric Acid SCHEMBL11196712 | 0.79 | TSHR (0.47) | TSHRNFKB1CYP2C19FFAR3 | |
| SCHEMBL2278363 | 0.79 | TSHR (0.42) | TSHRNFKB1CYP2C19FFAR3ALDH1A1 | |
| SCHEMBL8527302 | 0.79 | TSHR (0.42) | TSHRNFKB1CYP2C19FFAR3 | |
| SCHEMBL15634227 | 0.77 | TSHR (0.41) | TSHRNFKB1CYP2C19ALDH1A1 |
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-106146459-A | A kind of preparation method of bilastine | 山东罗欣药业集团恒欣药业有限公司 | 2016-11-23 | — | — | CN | claimed |
| CN-106558711-B | A kind of application of porous septum in organic system flow battery | 中国科学院大连化学物理研究所 | 2019-06-11 | — | — | CN | disclosed |
| CN-105175558-B | A kind of preparation method of composite membrane | 天津科技大学 | 2019-01-18 | — | — | CN | disclosed |