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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 10/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.48 |
| ▸ | F10 | P00742 | 2/20 | 0.48 |
| ▸ | PTGER3 | P43115 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 2/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6078758 | 0.91 | F2 (0.42) | F2PRSS1F10F7F3 | |
| Acetic Acid SCHEMBL6028984 | 0.90 | F2 (0.39) | F2PRSS1F10KDM4EALDH1A1 | |
| Acetic Acid SCHEMBL6028529 | 0.85 | NAMPT (0.38) | F2PRSS1F10KMT2AF7 | |
| SCHEMBL6079412 | 0.84 | PTGER3 (0.39) | F2PRSS1F10PTGER3KDM4E | |
| SCHEMBL6028718 | 0.84 | PTGER3 (0.39) | F2PRSS1F10PTGER3KDM4E | |
| Acetic Acid SCHEMBL6078703 | 0.80 | F7 (0.35) | F2PRSS1F10KDM4EMEN1 | |
| Acetic Acid SCHEMBL6078293 | 0.80 | F2 (0.44) | F2PRSS1F10PTGER3KDM4E | |
| Acetic Acid SCHEMBL6078037 | 0.80 | PRSS1 (0.43) | F2PRSS1F10PTGER3F7 | |
| Acetic Acid SCHEMBL6077133 | 0.80 | PRSS1 (0.43) | F2PRSS1F10PTGER3F7 | |
| SCHEMBL6027954 | 0.80 | MTNR1B (0.49) | PTGER3KDM4EMEN1ALDH1A1MAPT |
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 7/4885PRSS1 311/4885F10 8/4885 |
“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.