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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | GABRP | O00591 | 4/20 | 0.46 |
| ▸ | GABRD | O14764 | 4/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.46 |
| ▸ | GABRE | P78334 | 4/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 4/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 4/20 | 0.46 |
| ▸ | GABRQ | Q9UN88 | 4/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
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 SCHEMBL12474237 | 0.97 | ALDH1A1 (0.62) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| Acetic Acid SCHEMBL28858092 | 0.97 | ALDH1A1 (0.62) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| Acetic Acid SCHEMBL3336394 | 0.97 | ALDH1A1 (0.62) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| Acetic Acid SCHEMBL8817349 | 0.97 | — | — | |
| Acetic Acid SCHEMBL21227 | 0.97 | ALDH1A1 (0.62) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| Acetic Acid SCHEMBL9406859 | 0.97 | ALDH1A1 (0.62) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| Acetic Acid SCHEMBL6150069 | 0.97 | ALDH1A1 (0.62) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| Acetic Acid SCHEMBL10622613 | 0.94 | ALDH1A1 (0.59) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| Acetic Acid SCHEMBL11456315 | 0.94 | ALDH1A1 (0.59) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| Acetic Acid SCHEMBL9615697 | 0.94 | ALDH1A1 (0.59) | ALDH1A1GABRPGABRDGABRA1GABRB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0284594-B1 | PROCESS FOR PREPARING (S) (+)-4,4'-(1-METHYL-1,2-ETHANEDIYL)-BIS (2,6-PIPERAZINEDIONE) | ERBAMONT, INC. (US) | 1993-01-13 | — | — | EP | disclosed |
| US-4764614-A | CYCLIZATION OF PROPYLENEDIAMINE TETRAACETIC TETRAAMIDE | MONSANTO COMPANY (US) | 1988-08-16 | — | — | US | disclosed |
| US-4275063-A | 1,2-BIS(3,5-DIOXOPIPERAZIN-YL)PROPANE FOR TREATMENT OF CANCER IN HUMANS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1981-06-23 | — | — | US | disclosed |