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 | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 11/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 10/20 | 0.41 |
| ▸ | F10 | P00742 | 10/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 7/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 7/20 | 0.41 |
| ▸ | F7 | P08709 | 7/20 | 0.41 |
| ▸ | F3 | P13726 | 5/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5041949 | 0.93 | F2 (0.45) | F2PRSS1F10PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL5047536 | 0.89 | F2 (0.43) | F2PRSS1F10PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL5047527 | 0.89 | F2 (0.43) | F2PRSS1F10PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL5045093 | 0.87 | F10 (0.39) | F2PRSS1F10PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL5045087 | 0.87 | F10 (0.39) | F2PRSS1F10PRSS2PRSS3 | |
| Acetic Acid SCHEMBL5043149 | 0.83 | F2 (0.43) | F2PRSS1F10F7F3 | |
| Acetic Acid SCHEMBL5045203 | 0.82 | F10 (0.42) | F2PRSS1F10PRSS2PRSS3 | |
| Acetic Acid SCHEMBL5041870 | 0.82 | F10 (0.44) | F2PRSS1F10F7F3 | |
| Hydrochloric Acid SCHEMBL5045712 | 0.81 | MAPK1 (0.46) | F2PRSS1F10PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL5042759 | 0.81 | F2 (0.48) | F2PRSS1F10PRSS2PRSS3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7129238-B2 | Mandelic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-10-31 | — | — | US | claimed |
| US-20040122057-A1 | Novel mandelic acid derivatives | HOFFMANN-LA ROCHE INC. | 2004-06-24 | — | — | US | claimed |
| EP-1567498-B1 | MANDELIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-23 | — | — | EP | disclosed |
| US-7129238-B2 | Mandelic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-10-31 | — | — | US | disclosed |
| EP-1567498-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-31 | — | — | EP | disclosed |
| US-20040122057-A1 | Novel mandelic acid derivatives | HOFFMANN-LA ROCHE INC. | 2004-06-24 | — | — | US | disclosed |
| WO-2004048335-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-10 | — | — | WO | 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-20040122057-A1 | Novel mandelic acid derivatives | F7, F11, F9 | F2 13/4885PRSS1 233/4885F10 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.