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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 20/20 | 0.64 |
| ▸ | PRSS1 | P07477 | 8/20 | 0.62 |
| ▸ | F2 | P00734 | 2/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.60 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.60 |
| ▸ | PLG | P00747 | 1/20 | 0.57 |
| ▸ | PROC | P04070 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6995434 | 0.97 | F10 (0.64) | F10PRSS1F2KCNH2PRSS2 | |
| Acetic Acid SCHEMBL7080812 | 0.90 | F10 (0.51) | F10PRSS1F2KCNH2PRSS2 | |
| SCHEMBL6989121 | 0.89 | F10 (0.57) | F10PRSS1F2KCNH2PRSS2 | |
| SCHEMBL6997959 | 0.88 | F10 (0.52) | F10PRSS1F2KCNH2PRSS2 | |
| SCHEMBL6993126 | 0.87 | F10 (0.52) | F10PRSS1F2KCNH2PRSS2 | |
| Trifluoroacetic Acid SCHEMBL7081758 | 0.86 | PRSS1 (0.59) | F10PRSS1F2PRSS2PRSS3 | |
| Trifluoroacetic Acid SCHEMBL7083062 | 0.85 | PRSS1 (0.57) | F10PRSS1F2PRSS2PRSS3 | |
| SCHEMBL6992031 | 0.85 | F10 (0.68) | F10PRSS1F2KCNH2PRSS2 | |
| SCHEMBL6999310 | 0.83 | F10 (0.61) | F10PRSS1F2KCNH2PRSS2 | |
| SCHEMBL7123535 | 0.80 | F10 (0.67) | F10PRSS1F2KCNH2PRSS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030162814-A1 | N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives | MERCK PATENT GMBH (DE) | 2003-08-28 | — | — | 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-20030162814-A1 | N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives | F5, CCNY, F2 | F10 5/4885PRSS1 398/4885F2 3/4885 |
“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.