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 | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL27640186 | 0.79 | DGAT1 (0.38) | DGAT1CTSSCTSK | |
| SCHEMBL28077386 | 0.78 | DGAT1 (0.41) | DGAT1CTSLCTSBCTSSCTSK | |
| SCHEMBL28248739 | 0.78 | MMP8 (0.36) | DGAT1CTSLCTSBCTSSCTSK | |
| SCHEMBL2164713 | 0.70 | GRM2 (0.37) | DGAT1CTSLCTSBCTSSCTSK | |
| SCHEMBL2556492 | 0.70 | GRM2 (0.37) | DGAT1CTSLCTSBCTSSCTSK | |
| SCHEMBL20400683 | 0.70 | GRM2 (0.37) | DGAT1CTSLCTSBCTSSCTSK | |
| SCHEMBL7049637 | 0.70 | MMP8 (0.43) | DGAT1CTSLCTSBCTSSCTSK | |
| Water SCHEMBL27575288 | 0.69 | CTSS (0.37) | DGAT1CTSLCTSBCTSSCTSK | |
| Water SCHEMBL9292988 | 0.69 | CTSS (0.37) | DGAT1CTSLCTSBCTSSCTSK | |
| SCHEMBL8166207 | 0.69 | MMP8 (0.38) | DGAT1MMP8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1137640-A1 | CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000035885-A1 | CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |