Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 10/20 | 1.00 |
| ▸ | CA12 | O43570 | 8/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 1.00 |
| ▸ | HPGD | P15428 | 8/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 1.00 |
| ▸ | CA1 | P00915 | 6/20 | 1.00 |
| ▸ | CA7 | P43166 | 6/20 | 1.00 |
| ▸ | MCL1 | Q07820 | 5/20 | 1.00 |
| ▸ | CA13 | Q8N1Q1 | 5/20 | 1.00 |
| ▸ | CASP1 | P29466 | 5/20 | 1.00 |
| ▸ | CASP7 | P55210 | 5/20 | 1.00 |
| ▸ | AKR1B1 | P15121 | 4/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 1.00 |
| ▸ | GLA | P06280 | 2/20 | 1.00 |
| ▸ | GAA | P10253 | 2/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 2/20 | 1.00 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Scopoletin SCHEMBL29712325 | 1.00 | CA9 (1.00) | CA9CA12KDM4EALDH1A1HPGD | |
| Scopoletin SCHEMBL147702 | 1.00 | CA9 (1.00) | CA9CA12KDM4EALDH1A1HPGD | |
| Scopoletin SCHEMBL5060518 | 0.97 | CA9 (0.94) | CA9CA12KDM4EALDH1A1HPGD | |
| Isoscopoletin SCHEMBL2790887 | 0.95 | CA9 (1.00) | CA9CA12KDM4EALDH1A1HPGD | |
| Isoscopoletin SCHEMBL30640526 | 0.95 | CA9 (1.00) | CA9CA12KDM4EALDH1A1HPGD | |
| Scopoletin SCHEMBL9949053 | 0.91 | CA9 (0.83) | CA9CA12KDM4EALDH1A1HPGD | |
| Scoparone SCHEMBL29714063 | 0.88 | MCL1 (1.00) | CA9CA12KDM4EALDH1A1HPGD | |
| Scoparone SCHEMBL240777 | 0.88 | MCL1 (1.00) | CA9CA12KDM4EALDH1A1HPGD | |
| Scoparone SCHEMBL27678756 | 0.84 | MCL1 (0.93) | CA9CA12KDM4EALDH1A1HPGD | |
| SCHEMBL22273624 | 0.83 | KDM4E (0.71) | CA9CA12KDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | disclosed |