Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Clioquinol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.78 |
| ▸ | MEN1 | O00255 | 6/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.78 |
| ▸ | HTT | P42858 | 5/20 | 0.78 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.78 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.78 |
| ▸ | LMNA | P02545 | 4/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.78 |
| ▸ | MAPT | P10636 | 4/20 | 0.78 |
| ▸ | TP53 | P04637 | 3/20 | 0.78 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.78 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.78 |
| ▸ | MMP14 | P50281 | 3/20 | 0.78 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.78 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.78 |
| ▸ | USP2 | O75604 | 2/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.78 |
| ▸ | HPGD | P15428 | 2/20 | 0.78 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.78 |
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 | |
|---|---|---|---|---|
| Clioquinol SCHEMBL4460420 | 0.93 | KDM4E (0.85) | HSP90AA1MEN1KMT2AKDM4EHTT | |
| Clioquinol SCHEMBL15476935 | 0.91 | MEN1 (0.76) | HSP90AA1MEN1KMT2AKDM4EHTT | |
| Clioquinol SCHEMBL11749381 | 0.89 | KDM4E (1.00) | HSP90AA1MEN1KMT2AKDM4EHTT | |
| Clioquinol SCHEMBL29370380 | 0.89 | KDM4E (1.00) | HSP90AA1MEN1KMT2AKDM4EHTT | |
| Clioquinol SCHEMBL30592904 | 0.89 | KDM4E (1.00) | HSP90AA1MEN1KMT2AKDM4EHTT | |
| Clioquinol SCHEMBL3967 | 0.89 | KDM4E (1.00) | HSP90AA1MEN1KMT2AKDM4EHTT | |
| Clioquinol SCHEMBL18985133 | 0.87 | KDM4E (0.97) | HSP90AA1MEN1KMT2AKDM4EHTT | |
| Clioquinol SCHEMBL28531298 | 0.87 | KDM4E (0.97) | HSP90AA1MEN1KMT2AKDM4EHTT | |
| Clioquinol SCHEMBL28529781 | 0.87 | KDM4E (0.97) | HSP90AA1MEN1KMT2AKDM4EHTT | |
| Clioquinol SCHEMBL28524321 | 0.87 | KDM4E (0.97) | HSP90AA1MEN1KMT2AKDM4EHTT |
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 |