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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.59 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.64 |
| ▸ | LTA4H | P09960 | 1/20 | 0.58 |
| ▸ | ANPEP | P15144 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | MME | P08473 | 2/20 | 0.54 |
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 SCHEMBL10444077 | 1.00 | BIRC2 (0.64) | BIRC2OPRK1LTA4HANPEPALDH1A1 | |
| SCHEMBL23106759 | 0.99 | BIRC2 (0.65) | BIRC2OPRK1LTA4HANPEPALDH1A1 | |
| SCHEMBL29046832 | 0.99 | BIRC2 (0.65) | BIRC2OPRK1LTA4HANPEPALDH1A1 | |
| SCHEMBL10443852 | 0.99 | BIRC2 (0.65) | BIRC2OPRK1LTA4HANPEPALDH1A1 | |
| SCHEMBL10443850 | 0.99 | BIRC2 (0.65) | BIRC2OPRK1LTA4HANPEPALDH1A1 | |
| Hydrochloric Acid SCHEMBL11594408 | 0.97 | BIRC2 (0.64) | BIRC2OPRK1LTA4HANPEPALDH1A1 | |
| Hydrochloric Acid SCHEMBL10443261 | 0.97 | BIRC2 (0.64) | BIRC2OPRK1LTA4HANPEPALDH1A1 | |
| Hydrochloric Acid SCHEMBL5500035 | 0.97 | BIRC2 (0.64) | BIRC2OPRK1LTA4HANPEPALDH1A1 | |
| Hydrochloric Acid SCHEMBL28611123 | 0.97 | BIRC2 (0.64) | BIRC2OPRK1LTA4HANPEPALDH1A1 | |
| Hydrochloric Acid SCHEMBL5500030 | 0.97 | BIRC2 (0.64) | BIRC2OPRK1LTA4HANPEPALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0350163-A2 | Renin inhibitory peptides | BEECHAM GROUP PLC (GB) | 1990-01-10 | — | — | EP | disclosed |