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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 known ✓ | P35228 | 2/20 | 0.34 |
| ▸ | GABRP | O00591 | 2/20 | 0.33 |
| ▸ | GABRD | O14764 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.33 |
| ▸ | GABRE | P78334 | 2/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.33 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9752426 | 0.85 | — | — | |
| Acetic Acid SCHEMBL5485514 | 0.76 | FFAR3 (0.35) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL28430055 | 0.75 | TSHR (0.44) | SLC7A5FFAR3LCKFYNALDH1A1 | |
| Acetic Acid SCHEMBL3255637 | 0.73 | MAPK1 (0.44) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL3249560 | 0.73 | MAPK1 (0.44) | FFAR3LCKFYNALDH1A1TSHR | |
| Bicarbonate SCHEMBL8039500 | 0.73 | GABRP (0.42) | NOS3NOS1NOS2GABRPGABRD | |
| Acetic Acid SCHEMBL9846827 | 0.73 | SLC1A3 (0.38) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Acetic Acid SCHEMBL2772542 | 0.73 | MAPK1 (0.44) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL113972 | 0.73 | MAPK1 (0.44) | FFAR3LCKFYNALDH1A1TSHR | |
| SCHEMBL10653697 | 0.73 | ALDH1A1 (0.35) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991000729-A2 | BIS-DIOXOPIPERAZINES, AND THEIR USE AS PROTECTING AGENTS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-01-24 | — | — | WO | disclosed |
| EP-0409499-A2 | Pharmaceutical compositions | BTG INTERNATIONAL LIMITED (GB) | 1991-01-23 | — | — | EP | disclosed |