Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.73 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.73 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.73 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.73 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.73 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.73 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.73 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.73 |
| ▸ | RECQL | P46063 | 1/20 | 0.73 |
| ▸ | BLM | P54132 | 1/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.73 |
| ▸ | EGFR | P00533 | 1/20 | 0.73 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.73 |
| ▸ | FYN | P06241 | 1/20 | 0.73 |
| ▸ | PGR | P06401 | 1/20 | 0.73 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.73 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.73 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4540935 | 0.99 | CYSLTR1 (0.74) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| Acetic Acid SCHEMBL1204496 | 0.99 | CYSLTR1 (0.74) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| Acetic Acid SCHEMBL4540939 | 0.99 | CYSLTR1 (0.74) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| Acetic Acid SCHEMBL1115925 | 0.99 | CYSLTR1 (0.74) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| Acetic Acid SCHEMBL1768658 | 0.99 | CYSLTR1 (0.74) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| Acetic Acid SCHEMBL1204492 | 0.99 | CYSLTR1 (0.74) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| Acetic Acid SCHEMBL6111295 | 0.99 | CYSLTR1 (0.73) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| Acetic Acid SCHEMBL1592789 | 0.99 | CYSLTR1 (0.73) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| Acetic Acid SCHEMBL6111115 | 0.99 | CYSLTR1 (0.73) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| Acetic Acid SCHEMBL1133382 | 0.99 | CYSLTR1 (0.73) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2288595-B1 | AN IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF | LAURUS LABS PRIVATE LTD (IN) | 2016-11-02 | — | — | EP | disclosed |
| US-8367834-B2 | Process for preparing Montelukast and salts thereof | LAURUS LABS PRIVATE LIMITED (IN) | 2013-02-05 | — | — | US | disclosed |
| EP-2185517-B1 | PROCESS FOR PREPARING A LEUKOTRIENE ANTAGONIST AND AN INTERMEDIATE THEREOF | MOEHS IBERICA SL (ES) | 2012-09-19 | — | — | EP | disclosed |
| US-20120232276-A1 | PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF | LAURUS LABS LIMITED (IN) | 2012-09-13 | — | — | US | disclosed |
| US-8207343-B2 | Process for preparing montelukast and salts thereof | LAURUS LABS PRIVATE LIMITED (IN) | 2012-06-26 | — | — | US | disclosed |
| US-8163924-B2 | Process for preparing a leukotriene antagonist and an intermediate thereof | Moehs Ibérica, S.L. (ES) | 2012-04-24 | — | — | US | disclosed |
| EP-1812393-B1 | METHYL 2-[(3S)-[3-[(2E)-(7-CHLOROQUINOLIN-2-YL) ETHENYL]PHENYL]-3-HALOPROPYL]-BENZOATE ESTER | MATRIX LAB LTD (IN) | 2011-12-28 | — | — | EP | disclosed |
| US-20110112300-A1 | IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF | Aptuit Laurus Pvt. Ltd. (IN) | 2011-05-12 | — | — | US | disclosed |
| US-20110092708-A1 | PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS THEREOF | MYLAN LABORATORIES LIMITED (IN) | 2011-04-21 | — | — | US | disclosed |
| US-7858793-B2 | Methyl 2-[(3S)-[3-[2E)-(7-chloro quinolin-2-yl) ethenyl] phenyl]-3-halopropyl] benzoates | SATYANARAYANA CHAVA | 2010-12-28 | — | — | US | disclosed |
| US-20100204476-A1 | Process for preparing a leukotriene antagonist and an intermediate thereof | MOEHS IBERICA S.L. (ES) | 2010-08-12 | — | — | US | disclosed |
| EP-2185517-A1 | PROCESS FOR PREPARING A LEUKOTRIENE ANTAGONIST AND AN INTERMEDIATE THEREOF | Moehs Ibérica, S.L. (ES) | 2010-05-19 | — | — | EP | disclosed |
| US-20100063291-A1 | PROCESS FOR PREPARATION OF SOLID MONTELUKAST | DR. REDDY'S LABORATORIES, INC. (US) | 2010-03-11 | — | — | US | disclosed |
| WO-2009016191-A1 | PROCESS FOR PREPARING A LEUKOTRIENE ANTAGONIST AND AN INTERMEDIATE THEREOF | Moehs Ibérica, S.L. (ES) | 2009-02-05 | — | — | WO | disclosed |
| US-20080275243-A1 | Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts | SATYANARAYANA CHAVA | 2008-11-06 | — | — | US | disclosed |
| US-20080146809-A1 | Process for the Preparation of Novel Amorphous Montelukast Sodium | MATRIX LABORATORIES LTD (IN) | 2008-06-19 | — | — | US | disclosed |
| US-20060004204-A1 | Process for preparation of montelukast and its salts | REGURI BUCHI R | 2006-01-05 | — | — | US | disclosed |
| US-20050107612-A1 | Process for preparation of montelukast and its salts | DR. REDDY'S LABORATORIES LIMITED | 2005-05-19 | — | — | 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 (9 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-20050107612-A1 | Process for preparation of montelukast and its salts | MPST, CMA1, TPMT | ESR1 4253/4885ADRB2 1009/4885ADRA2A 1926/4885 |
| US-20110092708-A1 | PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS THEREOF | CMA1, LTC4S, LTA4H | ESR1 4609/4885ADRB2 200/4885ADRA2A 295/4885 |
| US-20110112300-A1 | IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF | MPST, TST, CMA1 | ESR1 4444/4885ADRB2 329/4885ADRA2A 636/4885 |
| US-20080275243-A1 | Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts | HTR3C, HTR3B, TPMT | ESR1 2382/4885ADRB2 452/4885ADRA2A 575/4885 |
| US-20120232276-A1 | PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF | MPST, TST, CMA1 | ESR1 4422/4885ADRB2 326/4885ADRA2A 844/4885 |
| US-20080146809-A1 | Process for the Preparation of Novel Amorphous Montelukast Sodium | CMA1, MAST1, MAST3 | ESR1 4636/4885ADRB2 1385/4885ADRA2A 1317/4885 |
| US-20100063291-A1 | PROCESS FOR PREPARATION OF SOLID MONTELUKAST | MPST, CMA1, TPMT | ESR1 4126/4885ADRB2 1463/4885ADRA2A 2275/4885 |
| US-20100204476-A1 | Process for preparing a leukotriene antagonist and an intermediate thereof | CYSLTR2, LTB4R2, LTA4H | ESR1 4537/4885ADRB2 999/4885ADRA2A 788/4885 |
| US-20060004204-A1 | Process for preparation of montelukast and its salts | MPST, CMA1, TPMT | ESR1 4253/4885ADRB2 1009/4885ADRA2A 1926/4885 |
“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.