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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.71 |
| ▸ | CTSD | P07339 | 17/20 | 0.71 |
| ▸ | BACE2 | Q9Y5Z0 | 14/20 | 0.71 |
| ▸ | REN | P00797 | 2/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL5094488 | 0.87 | BACE1 (0.80) | BACE1CTSDBACE2REN | |
| Acetic Acid SCHEMBL5103361 | 0.86 | BACE1 (0.53) | BACE1CTSDBACE2REN | |
| SCHEMBL4881889 | 0.85 | BACE1 (0.59) | BACE1CTSDBACE2REN | |
| SCHEMBL5103272 | 0.84 | BACE1 (0.74) | BACE1CTSDBACE2REN | |
| SCHEMBL5097081 | 0.84 | BACE1 (0.63) | BACE1CTSDBACE2REN | |
| SCHEMBL4062984 | 0.83 | BACE1 (1.00) | BACE1CTSDBACE2REN | |
| SCHEMBL5096664 | 0.83 | BACE1 (0.75) | BACE1CTSDBACE2REN | |
| SCHEMBL4892545 | 0.82 | BACE1 (0.68) | BACE1CTSDBACE2REN | |
| SCHEMBL4891730 | 0.82 | BACE1 (0.65) | BACE1CTSDBACE2REN | |
| SCHEMBL4060583 | 0.82 | BACE1 (0.84) | BACE1CTSDBACE2REN |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080051420-A1 | New Compounds 317 | ASTRAZENECA AB (SE) | 2008-02-28 | — | — | US | claimed |
| US-20080051420-A1 | New Compounds 317 | ASTRAZENECA AB (SE) | 2008-02-28 | — | — | 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-20080051420-A1 | New Compounds 317 | PSEN2, PSEN1, MAPT | BACE1 6/4885CTSD 2053/4885BACE2 20/4885 |
“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.