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 | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.60 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | PPARD | Q03181 | 1/20 | 0.48 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.48 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.48 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
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 SCHEMBL11821375 | 0.91 | TSHR (0.54) | ACE2GPR84FFAR1LMNATSHR | |
| SCHEMBL19994227 | 0.89 | TSHR (0.62) | ACE2GPR84LMNATSHRMAPT | |
| SCHEMBL16350164 | 0.89 | TSHR (0.62) | ACE2GPR84LMNATSHRMAPT | |
| SCHEMBL7681938 | 0.89 | TSHR (0.62) | ACE2GPR84LMNATSHRMAPT | |
| SCHEMBL18265498 | 0.89 | TSHR (0.62) | ACE2GPR84LMNATSHRMAPT | |
| SCHEMBL976392 | 0.89 | TSHR (0.62) | ACE2GPR84LMNATSHRMAPT | |
| SCHEMBL1646376 | 0.89 | TSHR (0.62) | ACE2GPR84LMNATSHRMAPT | |
| SCHEMBL3726885 | 0.89 | TSHR (0.62) | ACE2GPR84LMNATSHRMAPT | |
| SCHEMBL20610571 | 0.89 | TSHR (0.62) | ACE2GPR84LMNATSHRMAPT | |
| SCHEMBL704286 | 0.89 | TSHR (0.62) | ACE2GPR84LMNATSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998051663-A2 | 3-EPI COMPOUNDS OF VITAMIN D3 AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 1998-11-19 | — | — | WO | disclosed |