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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.68 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | FABP3 | P05413 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Dodecanoate SCHEMBL28147192 | 0.97 | CA2 (0.64) | CA2CA1CYP3A4TSHRATM | |
| Acetic Acid SCHEMBL674387 | 0.87 | CA2 (0.58) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL8426725 | 0.82 | ALDH1A1 (0.54) | CA2CA1CYP3A4TSHRATM | |
| Fumaric Acid SCHEMBL28509894 | 0.82 | CA2 (0.53) | CA2CA1CYP3A4TSHRATM | |
| 2-Ethylhexanoic Acid SCHEMBL674506 | 0.81 | CA2 (0.70) | CA2CA1CYP3A4TSHRATM | |
| Acrylic Acid SCHEMBL30363229 | 0.81 | TSHR (0.53) | CA2CA1CYP3A4TSHRATM | |
| Adipic Acid SCHEMBL673668 | 0.81 | CA2 (0.66) | CA2CA1CYP3A4TSHRATM | |
| Hexanoate SCHEMBL6433822 | 0.79 | CA2 (0.64) | CA2CA1CYP3A4TSHRATM | |
| Dodecanoate SCHEMBL4445235 | 0.78 | CA2 (0.62) | CA2CA1CYP3A4TSHRATM | |
| Stearic Acid SCHEMBL4454256 | 0.78 | CA2 (0.62) | CA2CA1CYP3A4TSHRATM |
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-109071685-B | Terminal-modified conjugated diene polymer, rubber composition, and rubber article | 株式会社普利司通 | 2020-12-01 | — | — | CN | disclosed |