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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 3/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | VNN1 | O95497 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL178384 | 0.87 | — | — | |
| SCHEMBL18262 | 0.76 | — | — | |
| Acetic Acid SCHEMBL27747321 | 0.75 | CYP1A2 (0.45) | FFAR3LCKFYNALDH1A1 | |
| SCHEMBL17462 | 0.74 | USP2 (0.33) | ALDH1A1 | |
| Methacrylic Acid SCHEMBL4136560 | 0.73 | TGFBR1 (0.32) | TDP1 | |
| SCHEMBL13242767 | 0.72 | — | — | |
| SCHEMBL15181954 | 0.71 | SIRT2 (0.31) | — | |
| SCHEMBL2427203 | 0.70 | EPHX1 (0.39) | — | |
| SCHEMBL2012671 | 0.68 | VNN1 (0.33) | VNN1ALDH1A1 | |
| Acetic Acid SCHEMBL15090782 | 0.67 | FFAR3 (0.64) | FFAR3LCKFYNALDH1A1TDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2181986-B1 | Process for the preparation of a precursor of montelukast | SYNTHON BV (NL) | 2011-10-19 | — | — | EP | disclosed |
| EP-2181986-A1 | Process for the preparation of a precursor of montelukast | Synthon B.V. (NL) | 2010-05-05 | — | — | EP | disclosed |
| US-7501517-B2 | Process for making montelukast and intermediates therefor | SYNTHON IP, INC. (US) | 2009-03-10 | — | — | US | disclosed |
| EP-1740546-A2 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | Synthon B.V. (NL) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105749-A2 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | SYNTHON B.V. (NL) | 2005-11-10 | — | — | WO | disclosed |
| US-20050245569-A1 | Process for making montelukast and intermediates therefor | SYNTHON IP INC. | 2005-11-03 | — | — | 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 (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-20050245569-A1 | Process for making montelukast and intermediates therefor | LTA4H, CYP4A11, LTC4S | FFAR3 375/4885LCK 2053/4885FYN 2736/4885 |
“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.