Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | CCNH | P51946 | 1/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.39 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA7 | P43166 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7209077 | 0.89 | MAPK10 (0.43) | CA1CA2CA7CA9CA14 | |
| SCHEMBL6716965 | 0.89 | GSPT1 (0.43) | IDH1MCL1CDK1CCNB1CCNA2 | |
| SCHEMBL6724899 | 0.84 | SGK1 (0.48) | IDH1MCL1CDK1CCNB1CCNA2 | |
| SCHEMBL6718834 | 0.83 | SGK1 (0.47) | MCL1CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL6718381 | 0.81 | SGK1 (0.45) | IDH1MCL1CDK1CCNB1CCNA2 | |
| SCHEMBL6718224 | 0.81 | EDNRA (0.49) | — | |
| SCHEMBL6714790 | 0.81 | LMNA (0.47) | IDH1MCL1CDK1CCNB1CCNA2 | |
| SCHEMBL6720526 | 0.81 | THRB (0.52) | LMNAPIK3CB | |
| SCHEMBL6715063 | 0.80 | SGK1 (0.46) | IDH1MCL1CDK1CCNB1CCNA2 | |
| SCHEMBL6720452 | 0.80 | RORA (0.47) | CA1CA2CA7CA9CA14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1337515-A1 | (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002040450-A1 | (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS | ALTANA PHARMA AG (DE) | 2002-05-23 | — | — | WO | disclosed |