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 | 6/20 | 1.00 |
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 1.00 |
| ▸ | CYP2C8 | P10632 | 2/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | FPR1 | P21462 | 1/20 | 1.00 |
| ▸ | GPR183 | P32249 | 1/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 0.87 |
| ▸ | RECQL | P46063 | 1/20 | 0.87 |
| ▸ | BLM | P54132 | 1/20 | 0.87 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.87 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.87 |
| ▸ | EGFR | P00533 | 1/20 | 0.87 |
| ▸ | ESR1 | P03372 | 1/20 | 0.87 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.87 |
| ▸ | FYN | P06241 | 1/20 | 0.87 |
| ▸ | PGR | P06401 | 1/20 | 0.87 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.87 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.87 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.87 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.87 |
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 SCHEMBL31425566 | 1.00 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8CYP2C9FPR1 | |
| Montelukast SCHEMBL9414 | 1.00 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8CYP2C9FPR1 | |
| Montelukast SCHEMBL5267922 | 1.00 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8CYP2C9FPR1 | |
| Montelukast SCHEMBL9415 | 1.00 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8CYP2C9FPR1 | |
| Montelukast SCHEMBL29840730 | 1.00 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8CYP2C9FPR1 | |
| Montelukast SCHEMBL29573125 | 1.00 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8CYP2C9FPR1 | |
| Montelukast SCHEMBL29369947 | 1.00 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8CYP2C9FPR1 | |
| Montelukast SCHEMBL4788140 | 1.00 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8CYP2C9FPR1 | |
| Montelukast SCHEMBL8533560 | 0.99 | CYSLTR1 (0.99) | CYSLTR1CYSLTR2CYP2C8CYP2C9FPR1 | |
| Montelukast SCHEMBL6381434 | 0.99 | CYSLTR1 (0.99) | CYSLTR1CYSLTR2CYP2C8CYP2C9FPR1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6320052-B1 | CRYSTALLINE PRECURSORS OF 1-(((1(R)-(3-(2-(7-CHLORO-2-QUINO LYNYL)ETHENYL)PHENYL)-3-(2-HYDROXY-1-METHYL-ETHYL)PHENYL) PROPYL)THIO)METHYL)CYCLOPROPYLACETIC ACID | MERCK & CO., INC. | 2001-11-20 | — | — | US | claimed |
| EP-2114889-B1 | METHOD OF PREPARING MONTELUKAST AND INTERMEDIATES USED THEREIN | HANMI SCIENCE CO LTD (KR) | 2014-01-22 | — | — | EP | disclosed |
| US-8217174-B2 | Method of preparing montelukast and intermediates used therein | HANMI HOLDINGS CO., LTD. (KR) | 2012-07-10 | — | — | US | disclosed |
| US-20100099876-A1 | METHOD OF PREPARING MONTELUKAST AND INTERMEDIATES USED THEREIN | HANMI PHARM. CO., LTD. (KR) | 2010-04-22 | — | — | US | disclosed |
| 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-2114889-A1 | METHOD OF PREPARING MONTELUKAST AND INTERMEDIATES USED THEREIN | Hanmi Pharm. Co., Ltd. (KR) | 2009-11-11 | — | — | EP | disclosed |
| US-20090099367-A1 | Process for preparing a leukotriene antagonist | FARMAPROJECTS, S. A. (ES) | 2009-04-16 | — | — | US | disclosed |
| WO-2008072872-A1 | METHOD OF PREPARING MONTELUKAST AND INTERMEDIATES USED THEREIN | HANMI PHARM. CO., LTD. (KR) | 2008-06-19 | — | — | WO | disclosed |
| US-6320052-B1 | CRYSTALLINE PRECURSORS OF 1-(((1(R)-(3-(2-(7-CHLORO-2-QUINO LYNYL)ETHENYL)PHENYL)-3-(2-HYDROXY-1-METHYL-ETHYL)PHENYL) PROPYL)THIO)METHYL)CYCLOPROPYLACETIC ACID | MERCK & CO., INC. | 2001-11-20 | — | — | US | disclosed |
| EP-0737186-B1 | PROCESS FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS | MERCK & CO INC (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5614632-A | Process for the preparation of leukotriene anatgonists | MERCK & CO., INC. (US) | 1997-03-25 | — | — | US | disclosed |
| US-5523477-A | REACTING 1,1-CYCLOPROPANEDIMETHANOL WITH DIALKYL SULFITE IN PRESENCE OF ACID OR BASE TO FORM CYCLIC SULFITE, REMOVING ALCOHOL REACTION BY-PRODUCT | MERCK & CO., INC. (US) | 1996-06-04 | — | — | US | 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 (3 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-20100099876-A1 | METHOD OF PREPARING MONTELUKAST AND INTERMEDIATES USED THEREIN | LTC4S, LTB4R, LTB4R2 | CYSLTR1 5/4885CYSLTR2 6/4885CYP2C8 1640/4885 |
| US-20090099367-A1 | Process for preparing a leukotriene antagonist | LTC4S, LTB4R2, CYSLTR2 | CYSLTR1 6/4885CYSLTR2 3/4885CYP2C8 1363/4885 |
| 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.