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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.41 |
| ▸ | ALPG | P10696 | 2/20 | 0.40 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4227889 | 0.89 | ALDH1A1 (0.46) | ALPGPLAAKCNH2ALPLALDH1A1 | |
| Octanoic Acid SCHEMBL1661246 | 0.84 | GPR84 (0.46) | ALDH1A1KMT2A | |
| Acetic Acid SCHEMBL1662201 | 0.84 | ALDH1A1 (0.51) | AGTR1AGTR2KCNH2ALDH1A1POLB | |
| Acetic Acid SCHEMBL27980279 | 0.83 | SMN1; SMN2 (0.42) | AGTR1AGTR2ALPGPLAAALPL | |
| Acetic Acid SCHEMBL1661241 | 0.83 | TLR8 (0.51) | AGTR1AGTR2KCNH2ALDH1A1POLB | |
| Acetic Acid SCHEMBL28240456 | 0.81 | TLR8 (0.50) | AGTR1AGTR2KCNH2ALDH1A1POLB | |
| Acetic Acid SCHEMBL29271989 | 0.81 | TLR8 (0.50) | AGTR1AGTR2KCNH2ALDH1A1POLB | |
| SCHEMBL12037553 | 0.81 | ALPG (0.47) | AGTR1AGTR2ALPGPLAAKCNH2 | |
| SCHEMBL11295344 | 0.81 | KCNH2 (0.42) | AGTR1AGTR2ALPGPLAAKCNH2 | |
| Trifluoromethanesulfonic Acid SCHEMBL28569567 | 0.80 | KCNH2 (0.36) | AGTR1AGTR2ALPGPLAAKCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3034537-B1 | Method for organocatalytic ring-opening polymerisation | BASF SE (DE) | 2020-02-26 | — | — | EP | claimed |
| EP-3034537-A1 | Method for organocatalytic ring-opening polymerisation | BASF SE (DE) | 2016-06-22 | — | — | EP | claimed |
| EP-3034537-B1 | Method for organocatalytic ring-opening polymerisation | BASF SE (DE) | 2020-02-26 | — | — | EP | disclosed |
| EP-3034537-A1 | Method for organocatalytic ring-opening polymerisation | BASF SE (DE) | 2016-06-22 | — | — | EP | disclosed |