Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MGMT | P16455 | 2/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ATP4A | P20648 | 1/20 | 0.39 |
| ▸ | ATP4B | P51164 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15814133 | 0.86 | TSHR (0.45) | TSHRL3MBTL1MGMTCDK1CCNB1 | |
| SCHEMBL15815024 | 0.86 | TSHR (0.45) | TSHRL3MBTL1MGMTCDK1CCNB1 | |
| SCHEMBL20160880 | 0.85 | L3MBTL1 (0.48) | TSHRAOC3L3MBTL1MGMTCDK1 | |
| SCHEMBL15814853 | 0.80 | TSHR (0.46) | TSHRL3MBTL1MGMTCDK1CCNB1 | |
| SCHEMBL18526223 | 0.78 | MEN1 (0.46) | TSHRAOC3L3MBTL1ATP4AATP4B | |
| SCHEMBL18526569 | 0.78 | AOC3 (0.43) | TSHRAOC3L3MBTL1ATP4AATP4B | |
| SCHEMBL15814214 | 0.77 | SQOR (0.55) | TSHRL3MBTL1HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL21419430 | 0.77 | AOC3 (0.41) | TSHRAOC3L3MBTL1ATP4AATP4B | |
| SCHEMBL30466417 | 0.76 | L3MBTL1 (0.43) | TSHRL3MBTL1STAT3HTTSMN1; SMN2 | |
| SCHEMBL17874237 | 0.76 | AOC3 (0.41) | TSHRAOC3L3MBTL1ATP4AATP4B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086589-A1 | 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES | 上海海雁医药科技有限公司 | 2018-05-17 | — | — | WO | disclosed |