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 |
| ▸ | BACE2 | Q9Y5Z0 | 7/20 | 0.71 |
| ▸ | CTSD | P07339 | 4/20 | 0.65 |
| ▸ | CTSE | P14091 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL3351740 | 0.97 | BACE1 (0.71) | BACE1BACE2CTSD | |
| SCHEMBL5633480 | 0.90 | BACE1 (0.69) | BACE1BACE2CTSD | |
| SCHEMBL5579146 | 0.90 | BACE1 (0.69) | BACE1BACE2CTSD | |
| SCHEMBL5367552 | 0.90 | BACE1 (0.69) | BACE1BACE2CTSD | |
| SCHEMBL5363946 | 0.89 | BACE1 (0.74) | BACE1BACE2CTSDCTSE | |
| SCHEMBL3350491 | 0.88 | BACE1 (0.77) | BACE1BACE2CTSDCTSE | |
| SCHEMBL3350500 | 0.88 | BACE1 (0.77) | BACE1BACE2CTSDCTSE | |
| SCHEMBL8364786 | 0.87 | BACE1 (0.71) | BACE1BACE2CTSDCTSE | |
| SCHEMBL4891462 | 0.87 | BACE1 (0.71) | BACE1BACE2CTSD | |
| SCHEMBL5180653 | 0.87 | BACE1 (0.76) | BACE1BACE2CTSD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-7498436-B2 | Substituted hydroxyethylamines | PHARMACIA & UPJOHN COMPANY LLC (US) | 2009-03-03 | — | — | US | disclosed |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | ELAN PHARMACEUTICALS, INC. | 2007-09-13 | — | — | US | disclosed |
| US-20070213407-A1 | Compounds to treat Alzheimer's disease | ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC | 2007-09-13 | — | — | US | disclosed |
| US-7214715-B2 | Compounds to treat Alzheimer's disease | PHARMACIA & UPJOHN (US) | 2007-05-08 | — | — | US | disclosed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | disclosed |
| US-20020128255-A1 | Compounds to treat alzheimer's disease | PHARMACIA & UPJOHN COMPANY | 2002-09-12 | — | — | 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 (4 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-20020128255-A1 | Compounds to treat alzheimer's disease | PSEN2, PSEN1, APP | BACE1 4/4885BACE2 9/4885CTSD 2080/4885 |
| US-20070213407-A1 | Compounds to treat Alzheimer's disease | PSEN2, PSEN1, CHAT | BACE1 7/4885BACE2 11/4885CTSD 1351/4885 |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | BACE1, BACE2, PSEN1 | BACE1 1/4885BACE2 2/4885CTSD 249/4885 |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | BACE1, BACE2, APP | BACE1 1/4885BACE2 2/4885CTSD 96/4885 |
“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.