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 | 2/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | ELANE | P08246 | 3/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL455351 | 0.89 | KDM4E (0.53) | KDM4EGPR3HTR6RAD52SMARCA2 | |
| Hydrochloric Acid SCHEMBL3881151 | 0.87 | KDM4E (0.52) | KDM4EGPR3HTR6RAD52SMARCA2 | |
| Iodide SCHEMBL4717590 | 0.87 | KDM4E (0.52) | KDM4EGPR3HTR6RAD52SMARCA2 | |
| SCHEMBL27673186 | 0.87 | KDM4E (0.52) | KDM4EGPR3HTR6RAD52SMARCA2 | |
| Trifluoroacetic Acid SCHEMBL3937089 | 0.87 | KDM4E (0.40) | KDM4EGPR3HTR6ELANEHSD17B10 | |
| SCHEMBL574757 | 0.87 | KDM4E (0.42) | KDM4EGPR3HTR6RAD52SMARCA2 | |
| Formic Acid SCHEMBL3882912 | 0.86 | KDM4E (0.44) | KDM4EGPR3HTR6ALOX15 | |
| Toluene SCHEMBL19252764 | 0.86 | KDM4E (0.44) | KDM4EGPR3HTR6ELANERAD52 | |
| Hydrochloric Acid SCHEMBL28761791 | 0.85 | KDM4E (0.50) | KDM4EGPR3HTR6RAD52SMARCA2 | |
| Hydrochloric Acid SCHEMBL27669383 | 0.85 | KDM4E (0.50) | KDM4EGPR3HTR6RAD52SMARCA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3283178-A1 | ORAL COMPOSITION | Helperby Therapeutics Limited (GB) | 2018-02-21 | — | — | EP | disclosed |
| WO-2016166515-A1 | ORAL COMPOSITION | HELPERBY THERAPEUTICS LIMITED (GB) | 2016-10-20 | — | — | WO | disclosed |