Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Piroctone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 18/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Piroctone SCHEMBL2843 | 1.00 | KDM4E (0.44) | KDM4ELMNATP53CYP1A2ALOX12 | |
| Piroctone SCHEMBL2137231 | 1.00 | KDM4E (0.44) | KDM4ELMNATP53CYP1A2ALOX12 | |
| Piroctone SCHEMBL457354 | 0.99 | KDM4E (0.43) | KDM4ELMNATP53CYP1A2ALOX12 | |
| Piroctone SCHEMBL20598939 | 0.94 | KDM4E (0.40) | KDM4ELMNATP53CYP1A2ALOX12 | |
| Piroctone SCHEMBL30969893 | 0.92 | IDH1 (0.48) | IDH1 | |
| Piroctone SCHEMBL3588 | 0.92 | IDH1 (0.50) | IDH1 | |
| Piroctone SCHEMBL7568492 | 0.92 | IDH1 (0.50) | IDH1 | |
| Piroctone SCHEMBL28331516 | 0.91 | IDH1 (0.47) | IDH1 | |
| Piroctone SCHEMBL10357073 | 0.91 | IDH1 (0.49) | IDH1 | |
| Piroctone SCHEMBL1289257 | 0.91 | IDH1 (0.49) | IDH1 |
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-2008035152-A1 | COSMETIC METHOD TO REMOVE THE DARK UNDEREYE MARKS | GHISALBERTI CARLO (BR) | 2008-03-27 | — | — | WO | disclosed |
| CN-1277836-A | Novel cleaning agent component with improved characteristics of sedimentation and hair conditioning properties | JOHNSON & JOHNSON CONSUMER (US) | 2000-12-27 | — | — | CN | disclosed |