Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Adipic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.36 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 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 | |
|---|---|---|---|---|
| Adipic Acid SCHEMBL8056736 | 1.00 | ALDH1A1 (0.41) | ALDH1A1EPHX1LMNATRIM24TRIM33 | |
| Adipic Acid SCHEMBL13279853 | 0.87 | LMNA (0.52) | ALDH1A1LMNATRIM24TRIM33TSHR | |
| Azelaic Acid SCHEMBL29191883 | 0.85 | TSHR (0.55) | ALDH1A1EPHX1LMNAEPHX2TSHR | |
| SCHEMBL3271667 | 0.85 | TSHR (0.55) | ALDH1A1LMNATRIM24TRIM33TSHR | |
| Adipic Acid SCHEMBL28157377 | 0.84 | LMNA (0.55) | ALDH1A1LMNATRIM24TRIM33TSHR | |
| Adipic Acid SCHEMBL28266136 | 0.84 | LMNA (0.55) | ALDH1A1LMNATRIM24TRIM33TSHR | |
| Glutarate SCHEMBL28228789 | 0.82 | TRIM24 (0.52) | ALDH1A1LMNATRIM24TRIM33TSHR | |
| SCHEMBL17550812 | 0.82 | ALDH1A1 (0.58) | ALDH1A1LMNATRIM24TRIM33TSHR | |
| Cyclohexanone SCHEMBL223343 | 0.82 | ALDH1A1 (0.58) | ALDH1A1LMNATRIM24TRIM33TSHR | |
| Cyclohexanone SCHEMBL11010274 | 0.82 | ALDH1A1 (0.58) | ALDH1A1LMNATRIM24TRIM33TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1812363-A1 | SELECTIVE OXIDATION OF ORGANIC COMPOUNDS | U.S. BORAX INC. (US) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006043075-A1 | SELECTIVE OXIDATION OF ORGANIC COMPOUNDS | U.S. BORAX, INC. (US) | 2006-04-27 | — | — | WO | disclosed |