Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Montelukast. 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 | |
|---|---|---|---|---|
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 15/20 | 0.99 |
| ▸ | CYSLTR2 | Q9NS75 | 14/20 | 0.99 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.99 |
| ▸ | MEN1 | O00255 | 1/20 | 0.99 |
| ▸ | RECQL | P46063 | 1/20 | 0.99 |
| ▸ | BLM | P54132 | 1/20 | 0.99 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.99 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.99 |
| ▸ | EGFR | P00533 | 1/20 | 0.99 |
| ▸ | ESR1 | P03372 | 1/20 | 0.99 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.99 |
| ▸ | FYN | P06241 | 1/20 | 0.99 |
| ▸ | PGR | P06401 | 1/20 | 0.99 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.99 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.99 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.99 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.99 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.99 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.99 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.99 |
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 | |
|---|---|---|---|---|
| Montelukast SCHEMBL41733 | 1.00 | CYSLTR1 (0.99) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL27474743 | 1.00 | CYSLTR1 (0.99) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL125179 | 1.00 | CYSLTR1 (0.99) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL625297 | 1.00 | CYSLTR1 (0.99) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL15375392 | 1.00 | CYSLTR1 (0.99) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL4788144 | 1.00 | CYSLTR1 (0.99) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL4487 | 0.99 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL4486 | 0.99 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL22207045 | 0.99 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL21635556 | 0.99 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008135966-A1 | PROCESS FOR THE PURIFICATION OF OPTICALLY IMPURE 2-(2-(3(S)-(3-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-HYDROXY-PROPYL)PHENYL-2-PROPANOL | CHEMAGIS LTD. (IL) | 2008-11-13 | — | — | WO | disclosed |