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 | 0.96 |
| ▸ | CYSLTR2 | Q9NS75 | 14/20 | 0.96 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.96 |
| ▸ | MEN1 | O00255 | 1/20 | 0.96 |
| ▸ | RECQL | P46063 | 1/20 | 0.96 |
| ▸ | BLM | P54132 | 1/20 | 0.96 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.96 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.96 |
| ▸ | EGFR | P00533 | 1/20 | 0.96 |
| ▸ | ESR1 | P03372 | 1/20 | 0.96 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.96 |
| ▸ | FYN | P06241 | 1/20 | 0.96 |
| ▸ | PGR | P06401 | 1/20 | 0.96 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.96 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.96 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.96 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.96 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.96 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.96 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.96 |
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 SCHEMBL2878646 | 1.00 | CYSLTR1 (0.96) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL2878644 | 1.00 | CYSLTR1 (0.96) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL4487 | 0.98 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL21635556 | 0.98 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL22207045 | 0.98 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL12702747 | 0.98 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL4486 | 0.98 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL1149660 | 0.98 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL15656168 | 0.98 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL130083 | 0.98 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2142508-A2 | PROCESS FOR THE PREPARATION OF SODIUM SALT OF L-(((L(R)-(3-(2-(7-CHLORO-2- QUINOLINYL)-ETHENYL)PHENYL)-3-(2-(L-HYDROXY-L- METHYLETHYL)PHENYL)PROPYL)SULFANYL)METHYL)CYCLOPROPANEACETIC ACID | Zaklady Farmaceutyczne "Polpharma" S.A. (PL) | 2010-01-13 | — | — | EP | claimed |
| WO-2008136693-A2 | PROCESS FOR THE PREPARATION OF SODIUM SALT OF L-(((L(R)-(3-(2-(7-CHLORO-2- QUINOLINYL)-ETHENYL)PHENYL)-3-(2-(L-HYDROXY-L- METHYLETHYL)PHENYL)PROPYL)SULFANYL)METHYL)CYCLOPROPANEACETIC ACID | ZAKLADY FARMACEUTYCZNE POLPHARMA SA (PL) | 2008-11-13 | — | — | WO | claimed |
| US-20100069641-A1 | PROCESS FOR THE PREPARATION OF SODIUM SALT OF 1-(((1(R)-(3-(2-(7-CHLORO-2-QUINOLINYL)-ETHENYL)PHENYL)-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)SULFANYL)METHYL)CYCLOPROPANEACETIC ACID | ZAKLADY FARMACEUTYCZNE POLPHARMA S.A. (PL) | 2010-03-18 | — | — | US | disclosed |
| EP-2142508-A2 | PROCESS FOR THE PREPARATION OF SODIUM SALT OF L-(((L(R)-(3-(2-(7-CHLORO-2- QUINOLINYL)-ETHENYL)PHENYL)-3-(2-(L-HYDROXY-L- METHYLETHYL)PHENYL)PROPYL)SULFANYL)METHYL)CYCLOPROPANEACETIC ACID | Zaklady Farmaceutyczne "Polpharma" S.A. (PL) | 2010-01-13 | — | — | EP | disclosed |
| WO-2008136693-A2 | PROCESS FOR THE PREPARATION OF SODIUM SALT OF L-(((L(R)-(3-(2-(7-CHLORO-2- QUINOLINYL)-ETHENYL)PHENYL)-3-(2-(L-HYDROXY-L- METHYLETHYL)PHENYL)PROPYL)SULFANYL)METHYL)CYCLOPROPANEACETIC ACID | ZAKLADY FARMACEUTYCZNE POLPHARMA SA (PL) | 2008-11-13 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100069641-A1 | PROCESS FOR THE PREPARATION OF SODIUM SALT OF 1-(((1(R)-(3-(2-(7-CHLORO-2-QUINOLINYL)-ETHENYL)PHENYL)-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)SULFANYL)METHYL)CYCLOPROPANEACETIC ACID | SLC7A1, CLIC1, TMT1A | CYSLTR1 1267/4885CYSLTR2 1917/4885CYP2C8 2230/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.