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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.38 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.38 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30025575 | 0.87 | KDM4E (0.44) | PDE4APDE4BPDE4CPDE4DGRM4 | |
| SCHEMBL14357960 | 0.87 | KDM4E (0.44) | PDE4APDE4BPDE4CPDE4DGRM4 | |
| SCHEMBL28452581 | 0.82 | GRM4 (0.44) | PDE4APDE4BPDE4CPDE4DGRM4 | |
| SCHEMBL10337588 | 0.81 | LMNA (0.41) | PDE4APDE4BPDE4CPDE4DGRM4 | |
| Acetic Acid SCHEMBL27933774 | 0.78 | ALDH1A1 (0.48) | PDE4DALDH1A1L3MBTL1MAPTGAA | |
| SCHEMBL5517722 | 0.77 | CYP1A2 (0.50) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL5521719 | 0.77 | LMNA (0.44) | ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5378159 | 0.76 | KDM4E (0.41) | PDE4APDE4BPDE4CPDE4DGRM4 | |
| SCHEMBL16180482 | 0.74 | KDM4E (0.39) | PDE4APDE4BPDE4CPDE4DGRM4 | |
| Hydrochloric Acid SCHEMBL5573941 | 0.74 | KDM4E (0.39) | PDE4APDE4BPDE4CPDE4DALDH1A1 |
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-104583193-A | Pyrrolidine derivatives and their use as complement pathway modulators | NOVARTIS AG | 2015-04-29 | — | — | CN | disclosed |