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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | 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 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.32 |
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 SCHEMBL2860533 | 0.92 | KDM4E (0.32) | KDM4EPOLBALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL19604899 | 0.88 | — | — | |
| SCHEMBL723919 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL10494674 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL10494657 | 0.86 | ACHE (0.32) | ALDH1A1TSHRACHE | |
| Propionic Acid SCHEMBL10708337 | 0.82 | GABRP (0.31) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Acetic Acid SCHEMBL968509 | 0.79 | SMN1; SMN2 (0.41) | KDM4EPOLBALDH1A1TSHRSMN1; SMN2 | |
| Acetic Acid SCHEMBL28451525 | 0.79 | SMN1; SMN2 (0.41) | KDM4EPOLBALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL2792048 | 0.78 | SLC6A4 (0.30) | SLC6A4 | |
| SCHEMBL8644699 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6569822-B1 | Concentrate of acetates of N-coco-, N-oleyl- or N-tallow-1,3-diaminopropanes, alcohol, water, and a dissolving agent such as ethylene glycol, that passes a simple dilution test; use lubricating bottles on conveyor lines | ATOFINA (FR) | 2003-05-27 | — | — | US | claimed |
| US-6569822-B1 | Concentrate of acetates of N-coco-, N-oleyl- or N-tallow-1,3-diaminopropanes, alcohol, water, and a dissolving agent such as ethylene glycol, that passes a simple dilution test; use lubricating bottles on conveyor lines | ATOFINA (FR) | 2003-05-27 | — | — | US | disclosed |