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 | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | CTH | P32929 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CPB1 | P15086 | 3/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.32 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.30 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.30 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.30 |
| ▸ | GABRP | O00591 | 2/20 | 0.30 |
| ▸ | GABRD | O14764 | 2/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.30 |
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 SCHEMBL31169500 | 0.86 | GABRR1 (0.39) | GABRR1CTHLMNAFFAR3LCK | |
| SCHEMBL303917 | 0.85 | CTH (0.36) | GABRR1CTHLMNACPB1CPB2 | |
| SCHEMBL1535731 | 0.84 | LMNA (0.42) | LMNA | |
| SCHEMBL11781623 | 0.82 | TSHR (0.42) | GABRR1GABBR2GABBR1 | |
| Hydrochloric Acid SCHEMBL18059974 | 0.82 | LMNA (0.40) | LMNA | |
| Sulfuric Acid SCHEMBL18059977 | 0.81 | LMNA (0.35) | GABRR1LMNAGABBR2GABBR1 | |
| SCHEMBL151435 | 0.79 | GABBR2 (0.32) | GABRR1GABBR2GABBR1 | |
| SCHEMBL18343819 | 0.77 | LMNA (0.41) | GABRR1LMNAGABBR2GABBR1 | |
| SCHEMBL7343287 | 0.76 | — | — | |
| Acetic Acid SCHEMBL220259 | 0.76 | FFAR3 (0.58) | GABRR1LMNAFFAR3LCKFYN |
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 |
|---|---|---|---|---|---|---|---|
| US-5106752-A | METHOD AND REAGENT FOR DETERMINING THE IONIC STRENGTH OR SPECIFIC GRAVITY OF AQUEOUS LIQUIDS | BOEHRINGER MANNHEIM GMBH (DE) | 1992-04-21 | — | — | US | disclosed |
| US-5064615-A | Buffer, complex former, ph indicator, urine, test strips | BOEHRINGER MANNHEIM GMBH (DE) | 1991-11-12 | — | — | US | disclosed |