Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHMT1 | P34896 | 2/20 | 0.37 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL753141 | 0.78 | KDM4C (0.43) | KDM4EGAAL3MBTL1MAPTAR | |
| SCHEMBL7033102 | 0.71 | HSD17B10 (0.42) | KDM4ESMN1; SMN2 | |
| SCHEMBL2159275 | 0.69 | ALDH1A1 (0.49) | KDM4EGAAL3MBTL1MAPTCXCR2 | |
| SCHEMBL8752263 | 0.66 | KCNN4 (0.48) | GAAL3MBTL1MAPTKCNN4CYP1A2 | |
| SCHEMBL6121216 | 0.66 | KCNN4 (0.48) | GAAL3MBTL1MAPTKCNN4CYP1A2 | |
| SCHEMBL8750196 | 0.66 | KCNN4 (0.48) | GAAL3MBTL1MAPTKCNN4CYP1A2 | |
| SCHEMBL9828778 | 0.66 | NPC1 (0.63) | KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL503402 | 0.66 | MEN1 (0.57) | SMN1; SMN2 | |
| SCHEMBL9720242 | 0.65 | KCNN4 (0.52) | KDM4EGAAL3MBTL1MAPTKCNN4 | |
| SCHEMBL8532930 | 0.65 | KCNN4 (0.52) | GAAL3MBTL1MAPTKCNN4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0975601-B1 | PROCESS FOR MAKING A BUTYLTHIO-ISOQUINOLINE AND INTERMEDIATES THEREFOR | HOFFMANN LA ROCHE (CH) | 2003-03-12 | — | — | EP | claimed |