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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 16/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 6/20 | 0.36 |
| ▸ | CTSD | P07339 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8225129 | 0.92 | BACE1 (0.42) | BACE1BACE2CTSDAPPKCNH2 | |
| Acetic Acid SCHEMBL2087474 | 0.81 | BACE1 (0.58) | BACE1BACE2KCNH2 | |
| Acetic Acid SCHEMBL2084178 | 0.79 | BACE1 (0.37) | BACE1CTSDKCNH2HCAR3HCAR2 | |
| Acetic Acid SCHEMBL2084828 | 0.75 | BACE1 (0.47) | BACE1BACE2CTSDKCNH2 | |
| Acetic Acid SCHEMBL2084152 | 0.74 | BACE1 (0.44) | BACE1BACE2KCNH2 | |
| SCHEMBL2087166 | 0.73 | BACE1 (0.50) | BACE1CTSDAPPKCNH2NPSR1 | |
| SCHEMBL3546628 | 0.71 | BACE1 (0.66) | BACE1BACE2KCNH2 | |
| Acetic Acid SCHEMBL2086595 | 0.71 | BACE1 (0.49) | BACE1CTSDAPPKCNH2NPSR1 | |
| Trifluoroacetic Acid SCHEMBL2086620 | 0.70 | BACE1 (0.55) | BACE1BACE2CTSDKCNH2NPSR1 | |
| SCHEMBL8225708 | 0.70 | NPSR1 (0.37) | BACE1CTSDAPPKCNH2NPSR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101506162-B | Substituted isoindoles as bace inhibitors and their use | ASTRAZENECA AB | 2012-06-27 | — | — | CN | disclosed |
| US-20110059992-A1 | New Compounds | ASTRAZENECA AB (SE) | 2011-03-10 | — | — | US | disclosed |
| US-7855213-B2 | Compounds | ASTRAZENECA AB (SE) | 2010-12-21 | — | — | US | disclosed |
| CN-101506162-A | Substituted isoindoles as bace inhibitors and their use | ASTRAZENECA AB (SE) | 2009-08-12 | — | — | CN | disclosed |
| EP-2035378-A1 | SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE | AstraZeneca AB (SE) | 2009-03-18 | — | — | EP | disclosed |
| US-20080171771-A1 | New Compounds 391 | ASTRAZENECA AB (SE) | 2008-07-17 | — | — | US | disclosed |
| WO-2007149033-A1 | SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE | ASTRAZENECA AB (SE) | 2007-12-27 | — | — | 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 (2 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-20110059992-A1 | New Compounds | MAPT, PSEN2, PSEN1 | CHRNB4 36/4885CHRNA3 55/4885BACE1 5/4885 |
| US-20080171771-A1 | New Compounds 391 | PSEN2, PSEN1, MAPT | CHRNB4 63/4885CHRNA3 79/4885BACE1 4/4885 |
“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.