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 | 0.54 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.54 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.54 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.54 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.54 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.54 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4252306 | 0.90 | CYSLTR1 (0.46) | CYSLTR2CYSLTR1MEN1RECQLBLM | |
| SCHEMBL9689591 | 0.87 | CYSLTR2 (0.56) | CYSLTR2CYSLTR1MEN1RECQLBLM | |
| SCHEMBL9688179 | 0.87 | — | — | |
| SCHEMBL9222120 | 0.86 | CYSLTR2 (0.55) | CYSLTR2CYSLTR1MEN1RECQLBLM | |
| SCHEMBL10054296 | 0.85 | CYSLTR1 (0.73) | CYSLTR2CYSLTR1MEN1RECQLBLM | |
| SCHEMBL8931783 | 0.85 | CYSLTR1 (0.73) | CYSLTR2CYSLTR1MEN1RECQLBLM | |
| Acetic Acid SCHEMBL1768658 | 0.85 | CYSLTR1 (0.74) | CYSLTR2CYSLTR1MEN1RECQLBLM | |
| Acetic Acid SCHEMBL4540935 | 0.85 | CYSLTR1 (0.74) | CYSLTR2CYSLTR1MEN1RECQLBLM | |
| Acetic Acid SCHEMBL1204496 | 0.85 | CYSLTR1 (0.74) | CYSLTR2CYSLTR1MEN1RECQLBLM | |
| Acetic Acid SCHEMBL1115925 | 0.85 | CYSLTR1 (0.74) | CYSLTR2CYSLTR1MEN1RECQLBLM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090124657-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING MONTELUKAST | DR. REDDY'S LABORATORIES, INC. | 2009-05-14 | — | — | 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-20090124657-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING MONTELUKAST | PRSS3, LTC4S, CYSLTR1 | ESR1 4017/4885ADRB2 43/4885ADRA2A 138/4885 |
“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.