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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3246063 | 0.95 | BACE1 (0.48) | BACE1KCNH2BACE2 | |
| SCHEMBL3359171 | 0.79 | BACE1 (0.51) | BACE1KCNH2BACE2 | |
| SCHEMBL3245127 | 0.75 | BACE1 (0.39) | BACE1KCNH2BACE2 | |
| SCHEMBL3361396 | 0.75 | BACE1 (0.73) | BACE1KCNH2BACE2 | |
| SCHEMBL3246067 | 0.74 | BACE1 (0.33) | BACE1KCNH2BACE2 | |
| Trifluoroacetic Acid SCHEMBL3243544 | 0.74 | BACE1 (0.42) | BACE1KCNH2BACE2 | |
| Acetic Acid SCHEMBL3235775 | 0.72 | BACE1 (0.37) | BACE1KCNH2 | |
| SCHEMBL3236744 | 0.72 | BACE1 (0.47) | BACE1KCNH2BACE2 | |
| Acetic Acid SCHEMBL3243521 | 0.72 | BRAF (0.35) | BACE1KCNH2BACE2 | |
| SCHEMBL3248211 | 0.70 | GALR3 (0.41) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100125087-A1 | NEW COMPOUNDS 575 | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | US | disclosed |
| WO-2010056195-A1 | NEW COMPOUNDS 575 | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | 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-20100125087-A1 | NEW COMPOUNDS 575 | PSEN1, PSEN2, BACE1 | BACE1 3/4885KCNH2 4652/4885BACE2 12/4885 |
“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.