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 | 14/20 | 0.77 |
| ▸ | CYSLTR2 | Q9NS75 | 13/20 | 0.77 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.77 |
| ▸ | MEN1 | O00255 | 1/20 | 0.77 |
| ▸ | RECQL | P46063 | 1/20 | 0.77 |
| ▸ | BLM | P54132 | 1/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.77 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.77 |
| ▸ | EGFR | P00533 | 1/20 | 0.77 |
| ▸ | ESR1 | P03372 | 1/20 | 0.77 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.77 |
| ▸ | FYN | P06241 | 1/20 | 0.77 |
| ▸ | PGR | P06401 | 1/20 | 0.77 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.77 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.77 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.77 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.77 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.77 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.77 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.77 |
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 SCHEMBL2878644 | 0.88 | CYSLTR1 (0.96) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL2885255 | 0.88 | CYSLTR1 (0.96) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL2878646 | 0.88 | CYSLTR1 (0.96) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL1115796 | 0.88 | CYSLTR1 (0.95) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL528574 | 0.88 | CYSLTR1 (0.95) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL12702747 | 0.88 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL21635556 | 0.88 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL22207045 | 0.88 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL4487 | 0.88 | CYSLTR1 (1.00) | CYSLTR1CYSLTR2CYP2C8MEN1RECQL | |
| Montelukast SCHEMBL4486 | 0.88 | 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8530653-B2 | Enzyme inhibiting compounds | CHELSEA THERAPEUTICS, INC. (US) | 2013-09-10 | — | — | US | disclosed |
| EP-2496237-A2 | ENZYME INHIBITING COMPOUNDS | Chelsea Therapeutics, Inc. (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2012064377-A1 | ANTIFOLATE COMPOSITIONS | CHELSEA THERAPEUTICS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |
| EP-2451788-A1 | STABLE CRYSTALLINE POLYMORPHS OF THE DIPOTASSIUM SALT OF (S) -2- {4- [2- (2, 4-DIAMIN0-QUINAZ0LIN-6-YL) -ETHYL]-BENZOYLAMINO} -4-METHYLEN -PENTA NEDIOIC ACID | Chelsea Therapeutics, Inc. (US) | 2012-05-16 | — | — | EP | disclosed |
| US-20110237609-A1 | ANTIFOLATE COMPOSITIONS | CHELSEA THERAPEUTICS, INC. | 2011-09-29 | — | — | US | disclosed |
| US-20110152276-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES AS ANTIFOLATES | Chelsea Thereapeutics, Inc. | 2011-06-23 | — | — | US | disclosed |
| US-7951812-B2 | For abnormal cell proliferation, inflammatory diseases, asthma, and arthritis; (S)-N-{4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-4-methylene-L-glutamic acid disodium salt (CHL1007) | CHELSEA THERAPEUTICS, INC. (US) | 2011-05-31 | — | — | US | disclosed |
| US-20110124650-A1 | STABLE CRYSTALLINE SALTS OF ANTIFOLATE COMPOUNDS | CHELSEA THERAPEUTICS, INC. | 2011-05-26 | — | — | US | disclosed |
| WO-2011056957-A2 | ENZYME INHIBITING COMPOUNDS | CHELSEA THERAPEUTICS, INC. (US) | 2011-05-12 | — | — | WO | disclosed |
| US-20110112126-A1 | ENZYME INHIBITING COMPOUNDS | CHELSEA THERAPEUTICS, INC. | 2011-05-12 | — | — | US | disclosed |
| WO-2011005832-A1 | STABLE CRYSTALLINE POLYMORPHS OF THE DIPOTASSIUM SALT OF (S) -2- {4- [2- (2, 4-DIAMIN0-QUINAZ0LIN-6-YL) -ETHYL] -BENZOYLAMINO} -4-METHYLENΞ-PENTA NEDIOIC ACID | CHELSEA THERAPEUTICS, INC. (US) | 2011-01-13 | — | — | WO | disclosed |
| US-7829708-B2 | Metabolically inert antifolates for treating disorders of abnormal cellular proliferation and inflammation | CHELSEA THERAPEUTICS, INC. (US) | 2010-11-09 | — | — | US | disclosed |
| EP-2125818-A1 | NEW CLASSICAL ANTIFOLATES | Chelsea Therapeutics, Inc. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2009126637-A1 | ANTIFOLATE COMPOSITIONS | CHELSEA THERAPEUTICS, INC. (US) | 2009-10-15 | — | — | WO | disclosed |
| US-20090253720-A1 | ANTIFOLATE COMPOSITIONS | CHELSEA THERAPEUTICS, INC. | 2009-10-08 | — | — | US | disclosed |
| US-20080214585-A1 | NEW CLASSICAL ANTIFOLATES | CHELSEA THERAPEUTICS, INC. | 2008-09-04 | — | — | US | disclosed |
| WO-2008089390-A1 | NEW CLASSICAL ANTIFOLATES | CHELSEA THERAPEUTICS, INC. (US) | 2008-07-24 | — | — | WO | disclosed |
| EP-1791544-A2 | QUINAZOLINE DERIVATIVES AS METABOLICALLY INERT ANTIFOLATE COMPOUNDS | Chelsea Therapeutics Inc. (US) | 2007-06-06 | — | — | EP | disclosed |
| US-20060111272-A1 | Metabolically inert antifolates for treating disorders of abnormal cellular proliferation and inflammation | CHELSEA THERAPEUTICS, INC. | 2006-05-25 | — | — | US | disclosed |
| WO-2006029385-A2 | QUINAZOLINE DERIVATIVES AS METABOLICALLY INERT ANTIFOLATE COMPOUNDS. | CHELSEA THERAPEUTICS, INC. (US) | 2006-03-16 | — | — | 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 (7 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-20110152276-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES AS ANTIFOLATES | CCR9, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNO | CYSLTR1 363/4885CYSLTR2 352/4885CYP2C8 364/4885 |
| US-20060111272-A1 | Metabolically inert antifolates for treating disorders of abnormal cellular proliferation and inflammation | DHFR, MTHFD1, MTHFD2 | CYSLTR1 832/4885CYSLTR2 833/4885CYP2C8 2179/4885 |
| US-20080214585-A1 | NEW CLASSICAL ANTIFOLATES | FFAR3, CCR9, NR1H3 | CYSLTR1 123/4885CYSLTR2 156/4885CYP2C8 573/4885 |
| US-20090253720-A1 | ANTIFOLATE COMPOSITIONS | FDFT1, SLC19A1, FIBP | CYSLTR1 310/4885CYSLTR2 353/4885CYP2C8 1299/4885 |
| US-20110124650-A1 | STABLE CRYSTALLINE SALTS OF ANTIFOLATE COMPOUNDS | UACA, CCL11, ACKR3 | CYSLTR1 198/4885CYSLTR2 164/4885CYP2C8 2496/4885 |
| US-20110112126-A1 | ENZYME INHIBITING COMPOUNDS | FPGS, DHFR, TYMS | CYSLTR1 2402/4885CYSLTR2 3136/4885CYP2C8 945/4885 |
| US-20110237609-A1 | ANTIFOLATE COMPOSITIONS | DHFR, TYMS, MTHFD1 | CYSLTR1 464/4885CYSLTR2 711/4885CYP2C8 804/4885 |
“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.