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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.55 |
| ▸ | CTSK | P43235 | 4/20 | 0.55 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.43 |
| ▸ | CPN1 | P15169 | 1/20 | 0.41 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | ITGAV | P06756 | 2/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 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 SCHEMBL27622126 | 1.00 | CTSS (0.55) | CTSSCTSKIDO1AAK1CPN1 | |
| SCHEMBL375942 | 0.97 | CTSS (0.57) | CTSSCTSKIDO1AAK1CPN1 | |
| SCHEMBL375943 | 0.97 | CTSS (0.57) | CTSSCTSKIDO1AAK1CPN1 | |
| SCHEMBL23850037 | 0.97 | CTSS (0.57) | CTSSCTSKIDO1AAK1CPN1 | |
| Hydrochloric Acid SCHEMBL31407550 | 0.96 | CTSS (0.56) | CTSSCTSKIDO1AAK1CPN1 | |
| SCHEMBL956167 | 0.87 | CTSS (0.68) | CTSSCTSKIDO1AAK1KMT2A | |
| SCHEMBL956164 | 0.87 | CTSS (0.68) | CTSSCTSKIDO1AAK1KMT2A | |
| SCHEMBL1351322 | 0.87 | CTSS (0.68) | CTSSCTSKIDO1AAK1KMT2A | |
| SCHEMBL6386727 | 0.85 | CTSS (0.53) | CTSSCTSKIDO1AAK1ITGB3 | |
| SCHEMBL17373551 | 0.85 | CTSS (0.53) | CTSSCTSKIDO1AAK1ITGB3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1862457-B1 | Fluoropyrrolidines as dipeptidyl peptidase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2010-01-20 | — | — | EP | disclosed |
| EP-1862457-A2 | Fluoropyrrolidines as dipeptidyl peptidase inhibitors | SmithKline Beecham Corporation (US) | 2007-12-05 | — | — | EP | disclosed |
| EP-1406873-B1 | FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-09-26 | — | — | EP | disclosed |
| US-7132443-B2 | Fluoropyrrolidines as dipeptidyl peptidase inhibitors | SMITHKLINEBEECHAM CORPORATION (US) | 2006-11-07 | — | — | US | disclosed |
| US-20040171848-A1 | Fluoropyrrolidines as dipeptidyl peptidase inhibitors | SMITHKLINE BEECHAM CORPORATION | 2004-09-02 | — | — | US | disclosed |
| EP-1406873-A2 | FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003002531-A2 | FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-01-09 | — | — | 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-20040171848-A1 | Fluoropyrrolidines as dipeptidyl peptidase inhibitors | DPP4, DPP3, DPP7 | CTSS 130/4885CTSK 111/4885IDO1 2847/4885 |
“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.