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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
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 SCHEMBL10727228 | 0.98 | SMN1; SMN2 (0.49) | SMN1; SMN2PDPK1CA12PARP1ALOX15 | |
| SCHEMBL202156 | 0.87 | PDPK1 (0.55) | SMN1; SMN2PDPK1CA12PARP1ALOX15 | |
| SCHEMBL29508386 | 0.87 | PDPK1 (0.55) | SMN1; SMN2PDPK1CA12PARP1ALOX15 | |
| Formic Acid SCHEMBL10738924 | 0.86 | PDPK1 (0.49) | SMN1; SMN2PDPK1CA12PARP1ALOX15 | |
| SCHEMBL10427747 | 0.85 | PDPK1 (0.53) | SMN1; SMN2PDPK1CA12PARP1ALOX15 | |
| Hydrochloric Acid SCHEMBL4766699 | 0.85 | PDPK1 (0.53) | SMN1; SMN2PDPK1CA12PARP1ALOX15 | |
| Ammonia Solution, Strong SCHEMBL4824906 | 0.85 | PDPK1 (0.53) | SMN1; SMN2PDPK1CA12PARP1ALOX15 | |
| Trifluoroacetic Acid SCHEMBL29627985 | 0.85 | PARP1 (0.45) | SMN1; SMN2PDPK1CA12PARP1ALOX15 | |
| Formic Acid SCHEMBL10727380 | 0.84 | PDPK1 (0.50) | SMN1; SMN2PDPK1CA12PARP1ALOX15 | |
| Quinazolinone SCHEMBL29800668 | 0.78 | PARP1 (0.79) | SMN1; SMN2PDPK1CA12PARP1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-4689338-A | 1H-Imidazo[4,5-c]quinolin-4-amines and antiviral use | RIKER LABORATORIES, INC. (US) | 1987-08-25 | — | — | US | disclosed |