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 | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | STAT1 | P42224 | 1/20 | 0.50 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.50 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | UBE2N | P61088 | 1/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL879728 | 0.97 | GRM4 (0.59) | GRM4ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL30159535 | 0.97 | GRM4 (0.59) | GRM4ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL15972268 | 0.87 | GRM4 (0.59) | GRM4ALDH1A1LMNAMAPTSTAT1 | |
| SCHEMBL3997305 | 0.83 | LMNA (0.66) | ALDH1A1LMNAMAPTKDM4ESAE1 | |
| SCHEMBL30355120 | 0.83 | LMNA (0.66) | ALDH1A1LMNAMAPTKDM4ESAE1 | |
| SCHEMBL19661750 | 0.82 | GRM4 (0.58) | GRM4ALDH1A1LMNAMAPTSTAT1 | |
| SCHEMBL29125310 | 0.82 | GRM4 (0.52) | GRM4ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL16431989 | 0.82 | GRM4 (0.52) | GRM4ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL16431991 | 0.82 | GRM4 (0.52) | GRM4ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL16896837 | 0.81 | GRM4 (0.54) | GRM4ALDH1A1LMNAMAPTKDM4E |
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-106061966-B | Bicyclic heterocycle derivatives as bromodomain inhibitor | 奥赖恩公司 | 2018-12-07 | — | — | CN | disclosed |