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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 12/20 | 0.45 |
| ▸ | F2 | P00734 | 7/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.33 |
| ▸ | F7 | P08709 | 2/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6077384 | 0.98 | F10 (0.47) | F10F2PRSS1F7ITGB3 | |
| SCHEMBL6077403 | 0.98 | F10 (0.47) | F10F2PRSS1F7ITGB3 | |
| Acetic Acid SCHEMBL6076473 | 0.87 | F10 (0.35) | F10F2PRSS1F7ITGB3 | |
| SCHEMBL6077622 | 0.85 | F10 (0.35) | F10ALDH1A1LMNAPKM | |
| SCHEMBL6030782 | 0.85 | F10 (0.35) | F10ALDH1A1LMNAPKM | |
| Acetic Acid SCHEMBL6079132 | 0.85 | F2 (0.40) | F10F2PRSS1F7ITGB3 | |
| SCHEMBL6079242 | 0.84 | F10 (0.34) | F10F2PRSS1ITGB3ITGA2B | |
| SCHEMBL6079218 | 0.84 | F10 (0.34) | F10F2PRSS1ITGB3ITGA2B | |
| Acetic Acid SCHEMBL6078065 | 0.83 | F10 (0.45) | F10F2PRSS1ITGB3ITGA2B | |
| Acetic Acid SCHEMBL6077426 | 0.83 | F10 (0.35) | F10F2PRSS1ALDH1A1LMNA |
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 4 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 |
| US-7056932-B2 | Heterocyclyl substituted 1-alkoxy acetic acid amides | HOFFMAN-LA ROCHE INC. (US) | 2006-06-06 | — | — | US | 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 | OPRK1 1963/4885F10 8/4885F2 7/4885 |
“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.