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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 3/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.38 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | FABP3 | P05413 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1258679 | 0.96 | LTB4R (0.41) | LTB4RLTB4R2CYSLTR2CYSLTR1LMNA | |
| SCHEMBL12377694 | 0.96 | LTB4R (0.42) | LTB4RLTB4R2CYSLTR2CYSLTR1LMNA | |
| Trifluoroacetic Acid SCHEMBL11902973 | 0.92 | LTB4R (0.37) | LTB4RLTB4R2CYSLTR2CYSLTR1LMNA | |
| SCHEMBL1258702 | 0.90 | LTB4R (0.39) | LTB4RLTB4R2CYSLTR2CYSLTR1LMNA | |
| Trifluoroacetic Acid SCHEMBL11902971 | 0.89 | LTB4R (0.41) | LTB4RLTB4R2CYSLTR2CYSLTR1LMNA | |
| Trifluoromethanesulfonic Acid SCHEMBL442746 | 0.88 | LTB4R (0.36) | LTB4RLTB4R2CYSLTR2CYSLTR1LMNA | |
| SCHEMBL18803960 | 0.83 | LMNA (0.42) | LTB4RLTB4R2CYSLTR2CYSLTR1LMNA | |
| SCHEMBL18803958 | 0.82 | FOLH1 (0.42) | ALDH1A1ACKR3 | |
| SCHEMBL12377692 | 0.81 | MAPT (0.40) | LMNAMEN1KMT2AHIF1AALDH1A1 | |
| SCHEMBL12377705 | 0.81 | MEN1 (0.40) | LMNAMEN1KMT2A |
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-2462239-A1 | FRUCTOSYL PEPTIDYL OXIDASE AND SENSOR FOR ASSAYING A GLYCATED PROTEIN | Roche Diagnostics GmbH (DE) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011015325-A1 | FRUCTOSYL PEPTIDYL OXIDASE AND SENSOR FOR ASSAYING A GLYCATED PROTEIN | ROCHE DIAGNOSTICS GMBH (DE) | 2011-02-10 | — | — | WO | disclosed |