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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 8/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.32 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hexadecylamine SCHEMBL28887977 | 0.91 | DNM1 (0.45) | DNM1KMT2AMEN1ALDH1A1TSHR | |
| Dectaflur SCHEMBL28427963 | 0.83 | SLC6A5 (0.39) | DNM1KMT2AMEN1ALDH1A1TSHR | |
| Acetic Acid SCHEMBL5580294 | 0.82 | KCNH2 (0.37) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| Acetic Acid SCHEMBL11224897 | 0.82 | KCNH2 (0.37) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| Acetic Acid SCHEMBL2253405 | 0.79 | KCNH2 (0.30) | — | |
| Glycine SCHEMBL28021641 | 0.78 | KMT2A (0.35) | KMT2AMEN1ALDH1A1TSHRGNAI3 | |
| Oleamide SCHEMBL28427964 | 0.76 | FAAH (0.59) | KMT2AMEN1ALDH1A1TSHRSIRT6 | |
| Acetic Acid SCHEMBL28431501 | 0.75 | S1PR1 (0.34) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| Tetradecylamine SCHEMBL609941 | 0.74 | DNM1 (0.68) | DNM1KMT2AMEN1ALDH1A1TSHR | |
| SCHEMBL9683431 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4342683-A | Azo dyes with carboxyl polyalkyleneoxy chain moiety | BAYER AKTIENGESELLSCHAFT (DE) | 1982-08-03 | — | — | US | disclosed |
| US-4249902-A | DYEING LIQUID COMPRISING ORGANOPHILIC DYE WITH MELTING POINTS BELOW 140 HOMOGENEOUSLY MIXED WITH POLAR/NONPOLAR EMULSIFIER | BAYER AKTIENGESELLSCHAFT (DE) | 1981-02-10 | — | — | US | disclosed |
| US-4235598-A | FOR DYEING POLYESTER FIBERS | BAYER AKTIENGESELLSCHAFT (DE) | 1980-11-25 | — | — | US | disclosed |