Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexachlorophene. 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 | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.95 |
| ▸ | HPGD | P15428 | 7/20 | 0.95 |
| ▸ | TSHR | P16473 | 7/20 | 0.95 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.95 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.95 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.95 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.95 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.95 |
| ▸ | RECQL | P46063 | 2/20 | 0.95 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.95 |
| ▸ | THRB | P10828 | 2/20 | 0.95 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.95 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.95 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.95 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.95 |
| ▸ | MEN1 | O00255 | 1/20 | 0.95 |
| ▸ | NPC1 | O15118 | 1/20 | 0.95 |
| ▸ | USP2 | O75604 | 1/20 | 0.95 |
| ▸ | EGFR | P00533 | 1/20 | 0.95 |
| ▸ | LMNA | P02545 | 1/20 | 0.95 |
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 | |
|---|---|---|---|---|
| Hexachlorophene SCHEMBL29352805 | 0.98 | HSD17B10 (1.00) | HSD17B10HPGDTSHRCYP3A4HIF1A | |
| Hexachlorophene SCHEMBL15579 | 0.98 | HSD17B10 (1.00) | HSD17B10HPGDTSHRCYP3A4HIF1A | |
| Hexachlorophene SCHEMBL2810158 | 0.95 | HSD17B10 (0.95) | HSD17B10HPGDTSHRCYP3A4HIF1A | |
| Hexachlorophene SCHEMBL16339207 | 0.95 | HSD17B10 (0.95) | HSD17B10HPGDTSHRCYP3A4HIF1A | |
| Hexachlorophene SCHEMBL3468532 | 0.95 | HSD17B10 (0.95) | HSD17B10HPGDTSHRCYP3A4HIF1A | |
| Hexachlorophene SCHEMBL11693520 | 0.95 | HSD17B10 (0.95) | HSD17B10HPGDTSHRCYP3A4HIF1A | |
| Hexachlorophene SCHEMBL2806744 | 0.95 | HSD17B10 (0.95) | HSD17B10HPGDTSHRCYP3A4HIF1A | |
| SCHEMBL13287028 | 0.86 | SIRT1 (0.86) | HSD17B10HPGDTSHRCYP3A4HIF1A | |
| SCHEMBL14644982 | 0.86 | SIRT1 (1.00) | HSD17B10HPGDTSHRCYP3A4HIF1A | |
| SCHEMBL8822888 | 0.85 | HSD17B10 (0.76) | HSD17B10HPGDTSHRCYP3A4HIF1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170354758-A1 | Glycosaminoglycan-Based Materials as an Engineered Biocompatible Cellular Matrix | PURDUE RESEARCH FOUNDATION (US) | 2017-12-14 | — | — | US | disclosed |