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 | 0.55 |
| ▸ | KCNH2 | Q12809 | 11/20 | 0.55 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3553005 | 0.94 | BACE1 (0.61) | BACE1KCNH2BACE2 | |
| Acetic Acid SCHEMBL2087737 | 0.84 | BACE1 (0.58) | BACE1KCNH2BACE2CTSD | |
| Acetic Acid SCHEMBL2084178 | 0.81 | BACE1 (0.37) | BACE1KCNH2CTSD | |
| Acetic Acid SCHEMBL2087474 | 0.81 | BACE1 (0.58) | BACE1KCNH2BACE2 | |
| SCHEMBL3553867 | 0.76 | BACE1 (0.65) | BACE1KCNH2BACE2 | |
| SCHEMBL8225708 | 0.74 | NPSR1 (0.37) | BACE1KCNH2CTSD | |
| Hydrochloric Acid SCHEMBL2085875 | 0.73 | NPSR1 (0.37) | BACE1KCNH2CTSD | |
| SCHEMBL4002419 | 0.72 | BACE1 (0.72) | BACE1KCNH2BACE2CTSD | |
| Acetic Acid SCHEMBL2084541 | 0.72 | BACE1 (0.51) | BACE1KCNH2BACE2 | |
| SCHEMBL3546628 | 0.72 | BACE1 (0.66) | BACE1KCNH2BACE2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110059992-A1 | New Compounds | ASTRAZENECA AB (SE) | 2011-03-10 | — | — | US | claimed |
| CN-101506162-A | Substituted isoindoles as bace inhibitors and their use | ASTRAZENECA AB (SE) | 2009-08-12 | — | — | CN | claimed |
| EP-2035378-A1 | SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE | AstraZeneca AB (SE) | 2009-03-18 | — | — | EP | claimed |
| US-20080171771-A1 | New Compounds 391 | ASTRAZENECA AB (SE) | 2008-07-17 | — | — | US | claimed |
| WO-2007149033-A1 | SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE | ASTRAZENECA AB (SE) | 2007-12-27 | — | — | WO | claimed |
| 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 | BACE1 5/4885KCNH2 3126/4885BACE2 18/4885 |
| US-20080171771-A1 | New Compounds 391 | PSEN2, PSEN1, MAPT | BACE1 4/4885KCNH2 2710/4885BACE2 15/4885 |
“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.