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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 15/20 | 0.39 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 4/20 | 0.39 |
| ▸ | F10 | P00742 | 3/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | MASP2 | O00187 | 2/20 | 0.38 |
| ▸ | F3 | P13726 | 2/20 | 0.38 |
| ▸ | TMPRSS6 | Q8IU80 | 4/20 | 0.37 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6076940 | 0.97 | ST14 (0.41) | F2ST14F7F10PRSS1 | |
| SCHEMBL6076925 | 0.97 | ST14 (0.41) | F2ST14F7F10PRSS1 | |
| Acetic Acid SCHEMBL6077639 | 0.91 | ST14 (0.43) | F2ST14F7F10PRSS1 | |
| Acetic Acid SCHEMBL6030799 | 0.89 | F2 (0.46) | F2ST14F7F10PRSS1 | |
| SCHEMBL6030111 | 0.88 | F2 (0.42) | F2ST14F7F10PRSS1 | |
| SCHEMBL6079071 | 0.88 | F2 (0.42) | F2ST14F7F10PRSS1 | |
| SCHEMBL6078724 | 0.88 | ST14 (0.45) | F2ST14F7F10PRSS1 | |
| SCHEMBL6031886 | 0.88 | ST14 (0.45) | F2ST14F7F10PRSS1 | |
| Acetic Acid SCHEMBL6079605 | 0.84 | F10 (0.37) | F2F7F10PRSS1KLKB1 | |
| Acetic Acid SCHEMBL6078613 | 0.83 | F2 (0.40) | F2ST14F7F10PRSS1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7056932-B2 | Heterocyclyl substituted 1-alkoxy acetic acid amides | HOFFMAN-LA ROCHE INC. (US) | 2006-06-06 | — | — | US | claimed |
| US-20050137168-A1 | Heterocyclyl substituted 1-alkoxy acetic acid amides | HOFFMANN-LA ROCHE INC. | 2005-06-23 | — | — | US | claimed |
| EP-1706396-A1 | N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA | F.HOFFMANN-LA ROCHE AG (CH) | 2006-10-04 | — | — | EP | disclosed |
| US-7056932-B2 | Heterocyclyl substituted 1-alkoxy acetic acid amides | HOFFMAN-LA ROCHE INC. (US) | 2006-06-06 | — | — | US | disclosed |
| WO-2005058868-A1 | N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | disclosed |
| US-20050137168-A1 | Heterocyclyl substituted 1-alkoxy acetic acid amides | HOFFMANN-LA ROCHE INC. | 2005-06-23 | — | — | 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-20050137168-A1 | Heterocyclyl substituted 1-alkoxy acetic acid amides | F12, TFPI, F11 | F2 7/4885ST14 858/4885F7 6/4885 |
“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.