Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14750946 | 0.73 | TSHR (0.54) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL30388760 | 0.73 | TSHR (0.54) | TSHRTP53CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL2596005 | 0.71 | TSHR (0.52) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL28990933 | 0.70 | CYP3A4 (0.43) | TSHRCA1CA2GAAPDE7A | |
| SCHEMBL3793427 | 0.70 | TSHR (0.50) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL28990905 | 0.69 | CYP3A4 (0.42) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL11055189 | 0.69 | KDM4E (0.52) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL31499773 | 0.69 | TSHR (0.45) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL15058751 | 0.69 | TSHR (0.41) | TSHRTP53CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL1322411 | 0.68 | TSHR (0.48) | TSHRTP53CA12CA1CA2 |
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-108658816-B | N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides | 拜尔农作物科学股份公司 | 2023-05-02 | — | — | CN | disclosed |