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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 8/20 | 0.58 |
| ▸ | F10 | P00742 | 5/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
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 SCHEMBL10869898 | 1.00 | GRM2 (0.58) | GRM2F10SIGMAR1ABCB11 | |
| SCHEMBL10759100 | 0.84 | F10 (0.57) | GRM2F10 | |
| Acetic Acid SCHEMBL13736179 | 0.81 | F10 (0.86) | F10ABCB11 | |
| Acetic Acid SCHEMBL13738152 | 0.81 | F10 (0.86) | F10ABCB11 | |
| Acetic Acid SCHEMBL13737134 | 0.81 | F10 (0.86) | F10ABCB11 | |
| SCHEMBL15203256 | 0.80 | GRM2 (0.64) | GRM2F10SIGMAR1 | |
| SCHEMBL7300213 | 0.80 | GRM2 (0.63) | GRM2F10SIGMAR1 | |
| SCHEMBL12728922 | 0.80 | GRM2 (0.64) | GRM2F10SIGMAR1 | |
| SCHEMBL5007547 | 0.80 | GRM2 (0.69) | GRM2F10 | |
| SCHEMBL3798210 | 0.80 | GRM2 (0.69) | GRM2F10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0184170-B1 | AMINOMETHYL OXOOXAZOLIDINYL BENZENE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-10-16 | — | — | EP | disclosed |