Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAC1 | P63000 | 1/20 | 0.45 |
| ▸ | CACNA2D1 | P54289 | 9/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CCR4 | P51679 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4452814 | 0.73 | L3MBTL1 (0.35) | CCR4 | |
| SCHEMBL3389936 | 0.69 | RAC1 (0.79) | MAPTRAC1CACNA2D1CCR4 | |
| SCHEMBL23883133 | 0.66 | CACNA2D1 (0.77) | CACNA2D1CCR4 | |
| SCHEMBL1613020 | 0.64 | CHRM2 (0.71) | MAPTCACNA2D1TMEM97SIGMAR1CYP2D6 | |
| SCHEMBL3392632 | 0.64 | RAC1 (0.58) | MAPTRAC1CACNA2D1TMEM97SIGMAR1 | |
| SCHEMBL14568564 | 0.63 | CCR4 (0.48) | HSP90AA1HSP90AB1CACNA2D1CCR4 | |
| SCHEMBL4452049 | 0.63 | CACNA2D1 (0.53) | HSP90AA1HSP90AB1CACNA2D1CCR4 | |
| SCHEMBL14424686 | 0.62 | NSD2 (0.54) | HSP90AA1HSP90AB1TMEM97SIGMAR1CYP2D6 | |
| SCHEMBL17829618 | 0.62 | CCR4 (0.53) | CACNA2D1CCR4 | |
| SCHEMBL3392823 | 0.62 | MAPT (0.47) | HSP90AA1HSP90AB1MAPTRAC1CACNA2D1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009140215-A2 | METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS | GERAGHTY, ERIN (US) | 2009-11-19 | — | — | WO | claimed |
| WO-2009140215-A2 | METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS | GERAGHTY, ERIN (US) | 2009-11-19 | — | — | WO | disclosed |