Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.38 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.38 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2039997 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HSD17B10MAPK1BACE1HPGD | |
| SCHEMBL5153317 | 0.78 | TDO2 (0.45) | TDO2ALDH1A1HSD17B10SMARCA2SMARCA4 | |
| SCHEMBL22299320 | 0.77 | PTGS1 (0.49) | ALDH1A1HSD17B10MAPK1BACE1HPGD | |
| SCHEMBL544902 | 0.75 | TDO2 (0.42) | TDO2ALDH1A1HSD17B10SMARCA2SMARCA4 | |
| SCHEMBL29272569 | 0.75 | BACE1 (0.48) | TDO2ALDH1A1HSD17B10SMARCA2SMARCA4 | |
| SCHEMBL543968 | 0.75 | TDO2 (0.42) | TDO2ALDH1A1HSD17B10SMARCA2SMARCA4 | |
| SCHEMBL2777753 | 0.75 | PTGS2 (0.51) | ALDH1A1HSD17B10MAPK1BACE1HPGD | |
| SCHEMBL8069927 | 0.71 | TDO2 (0.39) | TDO2ALDH1A1HSD17B10MAPK1SMARCA2 | |
| SCHEMBL15392129 | 0.71 | TDO2 (0.39) | TDO2ALDH1A1HSD17B10MAPK1SMARCA2 | |
| SCHEMBL7499085 | 0.71 | PLAU (0.44) | TDO2ALDH1A1HSD17B10MAPK1SMARCA2 |
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 |