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 | 19/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.40 |
| ▸ | PLG | P00747 | 2/20 | 0.40 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.40 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.40 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.40 |
| ▸ | ST14 | Q9Y5Y6 | 3/20 | 0.39 |
| ▸ | MASP2 | O00187 | 3/20 | 0.39 |
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 SCHEMBL5042954 | 0.89 | ST14 (0.41) | F2PRSS1TPSAB1ST14MASP2 | |
| Acetic Acid SCHEMBL5038366 | 0.87 | ST14 (0.41) | F2PRSS1PRSS2PRSS3TPSAB1 | |
| Acetic Acid SCHEMBL5038073 | 0.86 | ST14 (0.39) | F2TPSAB1ST14MASP2 | |
| Acetic Acid SCHEMBL5047897 | 0.82 | ST14 (0.39) | F2PRSS1ST14MASP2 | |
| Acetic Acid SCHEMBL5037910 | 0.80 | F2 (0.41) | F2TPSAB1ST14MASP2 | |
| SCHEMBL5037794 | 0.80 | F2 (0.39) | F2ST14MASP2 | |
| Acetic Acid SCHEMBL5045452 | 0.80 | F7 (0.54) | F2TPSAB1ST14MASP2 | |
| Hydrochloric Acid SCHEMBL5041028 | 0.79 | F7 (0.43) | F2PRSS1PRSS2PRSS3ST14 | |
| Hydrochloric Acid SCHEMBL5041022 | 0.79 | F7 (0.43) | F2PRSS1PRSS2PRSS3ST14 | |
| Acetic Acid SCHEMBL5040883 | 0.78 | F7 (0.45) | F2PRSS1TPSAB1ST14MASP2 |
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 5 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 |
| US-20040122057-A1 | Novel mandelic acid derivatives | HOFFMANN-LA ROCHE INC. | 2004-06-24 | — | — | 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-20040122057-A1 | Novel mandelic acid derivatives | F7, F11, F9 | F2 13/4885PRSS1 233/4885PRSS2 737/4885 |
“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.