Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 9/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3913969 | 0.80 | FLT3 (0.64) | PDE4BPDE4DALDH1A1HSD17B10ABCC1 | |
| SCHEMBL8288690 | 0.78 | PDE4B (0.58) | PDE4BPDE4DABCC1ABCG2CXCR2 | |
| SCHEMBL8288836 | 0.77 | PDE4B (0.57) | PDE4BPDE4DABCC1ABCG2CXCR2 | |
| SCHEMBL8290782 | 0.76 | ALDH1A1 (0.53) | PDE4BPDE4DALDH1A1HSD17B10ABCC1 | |
| Benzene SCHEMBL5455893 | 0.74 | ALDH1A1 (0.67) | ALDH1A1HSD17B10KDM4EMAPTFLT3 | |
| SCHEMBL21260646 | 0.71 | ABCC1 (0.62) | PDE4BPDE4DABCC1ABCG2CXCR2 | |
| SCHEMBL21603891 | 0.68 | ABCC1 (0.64) | PDE4BPDE4DALDH1A1HSD17B10ABCC1 | |
| SCHEMBL21260782 | 0.66 | CXCR2 (0.69) | ALDH1A1ABCC1ABCG2CXCR2KDM4E | |
| Water SCHEMBL21597829 | 0.65 | ABCC1 (0.60) | PDE4BPDE4DALDH1A1HSD17B10ABCC1 | |
| Benzene SCHEMBL12470135 | 0.65 | ALDH1A1 (0.71) | ALDH1A1HSD17B10ABCC1MAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005033102-A2 | THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF | AMPHORA DISCOVERY CORPORATION (US) | 2005-04-14 | — | — | WO | disclosed |