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 | 2/20 | 0.33 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
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 SCHEMBL30421948 | 1.00 | ALDH1A1 (0.36) | ALDH1A1NAPRTTSHRDAOALOX15 | |
| Acetic Acid SCHEMBL9296547 | 0.98 | ALDH1A1 (0.38) | ALDH1A1NAPRTTSHRDAOALOX15 | |
| Acetic Acid SCHEMBL1075968 | 0.91 | ALDH1A1 (0.39) | ALDH1A1NAPRTTSHRDAOALOX15 | |
| Acetic Acid SCHEMBL986736 | 0.88 | CYP3A4 (0.36) | ALDH1A1NAPRTTSHRDAOALOX15 | |
| Acetic Acid SCHEMBL29655078 | 0.88 | CYP3A4 (0.36) | ALDH1A1NAPRTTSHRDAOALOX15 | |
| Acetic Acid SCHEMBL30885078 | 0.87 | ALDH1A1 (0.39) | ALDH1A1NAPRTTSHRDAOALOX15 | |
| Acetic Acid SCHEMBL9803960 | 0.87 | ALDH1A1 (0.39) | ALDH1A1NAPRTTSHRDAOALOX15 | |
| SCHEMBL2915801 | 0.87 | CYP3A4 (0.43) | TDP1ESR1ESR2KDM4ECYP3A4 | |
| SCHEMBL4255002 | 0.87 | CYP3A4 (0.43) | TDP1ESR1ESR2KDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL15253811 | 0.84 | CYP3A4 (0.41) | TDP1ESR1ESR2BLMCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1764365-A1 | A process for the preparation of sartan derivates and intermediates useful in such process | KRKA, D.D., Novo Mesto (SI) | 2007-03-21 | — | — | EP | disclosed |
| US-20050085447-A1 | Pyrido[3,4-d]pyrimidine derivatives as matrix metalloproteinase-13 inhibitors | WARNER-LAMBERT COMPANY LLC | 2005-04-21 | — | — | US | disclosed |
| WO-2005016926-A1 | PYRIDO [3,4-D] PYRIMIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE-13 INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-24 | — | — | 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 (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-20050085447-A1 | Pyrido[3,4-d]pyrimidine derivatives as matrix metalloproteinase-13 inhibitors | MMP13, MMP9, MMP3 | ESR1 2963/4885ESR2 3150/4885ALDH1A1 549/4885 |
“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.