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 | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 5/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.38 |
| ▸ | NAALAD2 | Q9Y3Q0 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RIMKLA | Q8IXN7 | 1/20 | 0.34 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1960483 | 0.95 | — | — | |
| SCHEMBL880552 | 0.95 | — | — | |
| SCHEMBL19849535 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL4947937 | 0.93 | TGFBR1 (0.45) | TGFBR1MAPTKDM4ETHRBALOX15 | |
| Hydrochloric Acid SCHEMBL28498824 | 0.93 | TGFBR1 (0.45) | TGFBR1MAPTKDM4ETHRBALOX15 | |
| Hydrochloric Acid SCHEMBL5147776 | 0.93 | TGFBR1 (0.45) | TGFBR1MAPTKDM4ETHRBALOX15 | |
| Hydrochloric Acid SCHEMBL28498825 | 0.93 | TGFBR1 (0.45) | TGFBR1MAPTKDM4ETHRBALOX15 | |
| SCHEMBL15499751 | 0.81 | — | — | |
| SCHEMBL14725189 | 0.81 | — | — | |
| SCHEMBL3367018 | 0.78 | — | — |
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-1575900-A4 | N-METHYL AMINO ACIDS | UBIQUITOUS TECHNOLOGIES PTY LT (AU) | 2007-02-21 | — | — | EP | disclosed |
| EP-1575900-A1 | N-METHYL AMINO ACIDS | UBIQUITOUS TECHNOLOGIES PTY LTD (AU) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004007427-A1 | N-METHYL AMINO ACIDS | UBIQUITOUS TECHNOLOGIES PTY LTD (AU) | 2004-01-22 | — | — | WO | disclosed |