Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1957427 | 0.84 | ALDH1A1 (0.49) | NQO1CA12CA9KDM4EALDH1A1 | |
| SCHEMBL3170077 | 0.80 | GAA (0.60) | NQO1CA12CA9KDM4EUSP2 | |
| SCHEMBL31222315 | 0.80 | GAA (0.60) | NQO1CA12CA9KDM4EUSP2 | |
| Coumarin SCHEMBL2477007 | 0.75 | CA12 (0.46) | CA12CA9KDM4EALDH1A1GAA | |
| SCHEMBL7753264 | 0.75 | CA12 (0.57) | NQO1CA12CA9KDM4EUSP2 | |
| SCHEMBL1883659 | 0.74 | ALDH1A1 (0.50) | NQO1CA12CA9KDM4EALDH1A1 | |
| SCHEMBL31344359 | 0.74 | MAOB (0.50) | NQO1CA12CA9ALDH1A1GAA | |
| SCHEMBL29623856 | 0.73 | CA12 (0.60) | CA12CA9KDM4EALDH1A1GAA | |
| SCHEMBL1648027 | 0.72 | CA12 (0.73) | NQO1CA12CA9KDM4EALDH1A1 | |
| SCHEMBL29901650 | 0.72 | CA12 (0.73) | NQO1CA12CA9KDM4EALDH1A1 |
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-3004073-A1 | 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES | Université catholique de Louvain (BE) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014195507-A1 | 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES | UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) | 2014-12-11 | — | — | WO | disclosed |