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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.59 |
| ▸ | CHKA | P35790 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL28305077 | 0.87 | CHRM5 (0.57) | CHRM5CHKAALDH1A1MAPTSMN1; SMN2 | |
| Propionic Acid SCHEMBL28433613 | 0.85 | CHRM5 (0.64) | CHRM5CHKAALDH1A1MAPTSMN1; SMN2 | |
| Bicarbonate SCHEMBL9762926 | 0.84 | CHRM5 (0.76) | CHRM5CHKAALDH1A1MAPTSMN1; SMN2 | |
| Bicarbonate SCHEMBL28588179 | 0.82 | CHRM5 (0.73) | CHRM5CHKAALDH1A1MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL7780301 | 0.82 | CHRM5 (0.73) | CHRM5CHKAALDH1A1MAPTSMN1; SMN2 | |
| Bicarbonate SCHEMBL28267252 | 0.82 | CHRM5 (0.73) | CHRM5CHKAALDH1A1MAPTSMN1; SMN2 | |
| Sebacic Acid SCHEMBL28488143 | 0.81 | MAPT (0.55) | ALDH1A1MAPTSMN1; SMN2HDAC3HDAC1 | |
| SCHEMBL16353651 | 0.81 | KDM4E (0.46) | CHRM5CHKAALDH1A1CYP1A2CYP2C9 | |
| Acetone SCHEMBL28700630 | 0.80 | CHRM5 (0.76) | CHRM5CHKAALDH1A1MAPTSMN1; SMN2 | |
| Bicarbonate SCHEMBL28588177 | 0.79 | CHRM5 (0.67) | CHRM5CHKAALDH1A1MAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108047491-A | A kind of new PVC plasticizer and preparation method thereof | 广东达华生态科技有限公司 | 2018-05-18 | — | — | CN | disclosed |