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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 14/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 6/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MGAM | O43451 | 2/20 | 0.48 |
| ▸ | SI | P14410 | 2/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.48 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL565925 | 0.92 | GAA (0.69) | GAAKDM4EALDH1A1POLBMAPT | |
| SCHEMBL29515065 | 0.92 | GAA (0.69) | GAAKDM4EALDH1A1POLBMAPT | |
| Bromide SCHEMBL25420644 | 0.90 | GAA (0.67) | GAAKDM4EALDH1A1POLBMAPT | |
| Hydrochloric Acid SCHEMBL29609753 | 0.90 | GAA (0.67) | GAAKDM4EALDH1A1POLBMAPT | |
| Trifluoroacetic Acid SCHEMBL29988639 | 0.88 | GAA (0.53) | GAAKDM4EALDH1A1POLBMAPT | |
| Acetic Acid SCHEMBL472754 | 0.87 | POLB (0.60) | GAAKDM4EALDH1A1POLBMAPT | |
| Acetic Acid SCHEMBL15653002 | 0.86 | KDM4E (0.66) | KDM4EALDH1A1POLBMAPTHSD17B10 | |
| SCHEMBL94134 | 0.78 | GAA (0.69) | GAAKDM4EALDH1A1POLBMAPT | |
| Hydrochloric Acid SCHEMBL28525823 | 0.77 | CA12 (0.62) | GAAKDM4EALDH1A1POLBMAPT | |
| SCHEMBL2808497 | 0.77 | KDM4E (0.57) | GAAKDM4EALDH1A1MAPTHSD17B10 |
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-2009075778-A2 | NONPEPTIDIC INHIBITORS OF CRUZAIN | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-06-18 | — | — | WO | disclosed |