Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Piretanide. 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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.95 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.95 |
| ▸ | HPGD | P15428 | 3/20 | 0.95 |
| ▸ | LMNA | P02545 | 3/20 | 0.95 |
| ▸ | USP2 | O75604 | 2/20 | 0.95 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.95 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.95 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.41 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| Piretanide SCHEMBL30230376 | 0.98 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDLMNA | |
| Piretanide SCHEMBL1741994 | 0.98 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDLMNA | |
| Piretanide SCHEMBL49473 | 0.98 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDLMNA | |
| Piretanide SCHEMBL9837127 | 0.97 | KDM4E (0.98) | KDM4EHSD17B10ALDH1A1HPGDLMNA | |
| SCHEMBL2741891 | 0.97 | KDM4E (0.98) | KDM4EHSD17B10ALDH1A1HPGDLMNA | |
| Piretanide SCHEMBL7895002 | 0.95 | KDM4E (0.95) | KDM4EHSD17B10ALDH1A1HPGDLMNA | |
| SCHEMBL11542770 | 0.95 | KDM4E (0.95) | KDM4EHSD17B10ALDH1A1HPGDLMNA | |
| SCHEMBL11546942 | 0.93 | LMNA (0.91) | KDM4EHSD17B10ALDH1A1HPGDLMNA | |
| SCHEMBL231996 | 0.90 | ALDH1A1 (0.85) | KDM4EHSD17B10ALDH1A1HPGDLMNA | |
| Piretanide SCHEMBL250849 | 0.90 | KDM4E (0.84) | KDM4EHSD17B10ALDH1A1HPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20180052161-A1 | BIOMARKERS FOR MALARIA DIAGNOSIS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) | 2018-02-22 | — | — | US | disclosed |
| WO-2016149386-A1 | BIOMARKERS FOR MALARIA DIAGNOSIS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2016-09-22 | — | — | WO | disclosed |