Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.61 |
| ▸ | CA9 | Q16790 | 5/20 | 0.60 |
| ▸ | CA12 | O43570 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | CASP1 | P29466 | 3/20 | 0.60 |
| ▸ | CASP7 | P55210 | 3/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.60 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | GLA | P06280 | 2/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.60 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | BCHE | P06276 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL30177134 | 0.84 | ALDH1A1 (0.63) | MCL1CA9CA12KDM4EALDH1A1 | |
| SCHEMBL698688 | 0.84 | ALDH1A1 (0.63) | MCL1CA9CA12KDM4EALDH1A1 | |
| SCHEMBL4620259 | 0.83 | KDM4E (0.68) | MCL1CA9CA12KDM4EALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL599296 | 0.83 | ALDH1A1 (0.61) | MCL1CA9CA12KDM4EALDH1A1 | |
| Phosphoric Acid SCHEMBL3361101 | 0.80 | HSD17B3 (0.59) | MCL1CA9CA12KDM4EALDH1A1 | |
| Esculetin SCHEMBL8718947 | 0.78 | CA9 (0.79) | MCL1CA9CA12KDM4EALDH1A1 | |
| Esculetin SCHEMBL6867015 | 0.78 | CA9 (1.00) | MCL1CA9CA12KDM4EALDH1A1 | |
| Esculetin SCHEMBL24641 | 0.78 | CA9 (1.00) | MCL1CA9CA12KDM4EALDH1A1 | |
| Esculetin SCHEMBL29569228 | 0.78 | CA9 (1.00) | MCL1CA9CA12KDM4EALDH1A1 | |
| SCHEMBL592629 | 0.77 | MCL1 (1.00) | MCL1KDM4EALDH1A1GAAHPGD |
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-2049511-A1 | USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY | Novabiotics Limited (GB) | 2009-04-22 | — | — | EP | disclosed |
| WO-2007141513-A1 | USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY | NOVABIOTICS LIMITED (GB) | 2007-12-13 | — | — | WO | disclosed |