Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 11/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | PTPRC | P08575 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.55 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.55 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.55 |
| ▸ | PTPRJ | Q12913 | 1/20 | 0.55 |
| ▸ | DUSP26 | Q9BV47 | 1/20 | 0.55 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.51 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13921640 | 0.89 | COMT (0.66) | COMTCYP1A2HIF1AHPGDALOX15 | |
| SCHEMBL11458790 | 0.87 | COMT (0.56) | COMTCYP1A2HIF1AHPGDALOX15 | |
| SCHEMBL9818532 | 0.87 | HSP90AA1 (0.66) | COMTCYP1A2HIF1AHPGDALOX15 | |
| SCHEMBL12192929 | 0.86 | HSP90AA1 (0.69) | COMTCYP1A2HIF1AHPGDALOX15 | |
| SCHEMBL2981945 | 0.86 | COMT (0.66) | COMTCYP1A2HIF1AHPGDALOX15 | |
| SCHEMBL112181 | 0.86 | HIF1A (0.64) | COMTCYP1A2HIF1AHPGDALOX15 | |
| 8-Hydroxy-7-Iodo-5-Quinolinesulfonic Acid SCHEMBL29385217 | 0.86 | HIF1A (0.64) | COMTCYP1A2HIF1AHPGDALOX15 | |
| SCHEMBL10908982 | 0.86 | MEN1 (0.64) | COMTCYP1A2HIF1AHPGDALOX15 | |
| SCHEMBL22802119 | 0.86 | COMT (0.67) | COMTCYP1A2HIF1AHPGDALOX15 | |
| 8-Hydroxy-7-Iodo-5-Quinolinesulfonic Acid SCHEMBL94250 | 0.86 | HIF1A (0.64) | COMTCYP1A2HIF1AHPGDALOX15 |
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 |