Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Zileuton. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 6/20 | 0.97 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.97 |
| ▸ | PTGES | O14684 | 1/20 | 0.97 |
| ▸ | LMNA | P02545 | 1/20 | 0.97 |
| ▸ | LTA4H | P09960 | 1/20 | 0.97 |
| ▸ | GAA | P10253 | 1/20 | 0.97 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.97 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.97 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.97 |
| ▸ | LOX | P28300 | 1/20 | 0.97 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.97 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.97 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.97 |
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 | |
|---|---|---|---|---|
| Zileuton SCHEMBL6601944 | 0.99 | ALOX5 (1.00) | ALOX5CYP1A2PTGESLMNALTA4H | |
| Zileuton SCHEMBL4209 | 0.99 | ALOX5 (1.00) | ALOX5CYP1A2PTGESLMNALTA4H | |
| Zileuton SCHEMBL18251470 | 0.99 | ALOX5 (1.00) | ALOX5CYP1A2PTGESLMNALTA4H | |
| Zileuton SCHEMBL126156 | 0.99 | ALOX5 (1.00) | ALOX5CYP1A2PTGESLMNALTA4H | |
| Zileuton SCHEMBL8876686 | 0.99 | ALOX5 (1.00) | ALOX5CYP1A2PTGESLMNALTA4H | |
| Zileuton SCHEMBL28562765 | 0.97 | ALOX5 (0.97) | ALOX5CYP1A2PTGESLMNALTA4H | |
| Zileuton SCHEMBL6335013 | 0.97 | ALOX5 (0.97) | ALOX5CYP1A2PTGESLMNALTA4H | |
| Zileuton SCHEMBL20770716 | 0.93 | ALOX5 (0.90) | ALOX5CYP1A2PTGESLMNALTA4H | |
| Methylamine SCHEMBL9601432 | 0.86 | ALOX5 (0.77) | ALOX5CYP1A2PTGESLMNALTA4H | |
| SCHEMBL1444813 | 0.85 | ALOX5 (0.76) | ALOX5CYP1A2PTGESLMNALTA4H |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0279263-B1 | INDOLE, BENZOFURAN, BENZOTHIOPHENE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1993-08-04 | — | — | EP | disclosed |
| US-4873259-A | Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds | ABBOTT LABORATORIES (US) | 1989-10-10 | — | — | US | disclosed |
| EP-0279263-A2 | Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds | ABBOTT LABORATORIES (US) | 1988-08-24 | — | — | EP | disclosed |