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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NSD2 | O96028 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1714744 | 0.84 | LMNA (0.81) | LMNAPKMHTTALDH1A1KDM4E | |
| SCHEMBL1714991 | 0.83 | PTGDR2 (0.61) | LMNAPKMHTTALDH1A1KDM4E | |
| SCHEMBL28791648 | 0.82 | LMNA (0.58) | LMNAPKMHTTALDH1A1KDM4E | |
| SCHEMBL28791649 | 0.81 | LMNA (0.56) | LMNAPKMHTTALDH1A1KDM4E | |
| SCHEMBL1714970 | 0.80 | TP53 (0.74) | LMNAPKMHTTALDH1A1KDM4E | |
| SCHEMBL1714729 | 0.80 | PTGDR2 (0.73) | LMNAPKMHTTALDH1A1KDM4E | |
| SCHEMBL1713936 | 0.77 | LMNA (0.54) | LMNAPKMHTTALDH1A1KDM4E | |
| Acetic Acid SCHEMBL27530353 | 0.71 | MEN1 (0.53) | LMNAPKMHTTALDH1A1KDM4E | |
| SCHEMBL9975978 | 0.69 | KDM4E (0.65) | PKMHTTALDH1A1KDM4EPOLB | |
| SCHEMBL10723723 | 0.69 | MCOLN3 (0.75) | LMNAPKMHTTALDH1A1POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101107226-B | Phenoxyacetic acid derivatives useful for treating respiratory diseases | ASTRAZENECA AB | 2012-01-18 | — | — | CN | disclosed |