Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA7 | P43166 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9031305 | 0.68 | TSHR (0.41) | TSHRALDH1A1KDM4EGAAHPGD | |
| SCHEMBL6349062 | 0.68 | KDM4E (0.43) | TSHRALDH1A1KDM4EGAAHPGD | |
| SCHEMBL11634759 | 0.67 | TSHR (0.40) | TSHRALDH1A1KDM4EGAAHPGD | |
| SCHEMBL13267825 | 0.64 | ALDH1A1 (0.40) | TSHRALDH1A1KDM4EGAAHPGD | |
| SCHEMBL17188583 | 0.64 | ALDH1A1 (0.40) | TSHRALDH1A1KDM4EGAAHPGD | |
| SCHEMBL669565 | 0.63 | GAA (0.45) | TSHRALDH1A1KDM4EGAAHPGD | |
| SCHEMBL358469 | 0.63 | CYP2C9 (0.47) | TSHRALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL23382300 | 0.62 | KMT2A (0.40) | TSHRALDH1A1KDM4ECA12CA1 | |
| SCHEMBL7002090 | 0.62 | CYP1A2 (0.40) | TSHRKDM4EGAAHPGDCA12 | |
| SCHEMBL7002092 | 0.62 | TSHR (0.39) | TSHRALDH1A1KDM4EGAAHPGD |
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-116897155-A | Benzothiazolyl bicyclo [1.1.1] pentane derivatives for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2023-10-17 | — | — | CN | disclosed |