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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.68 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.68 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.71 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.68 |
| ▸ | PPARG | P37231 | 7/20 | 0.68 |
| ▸ | PPARD | Q03181 | 7/20 | 0.68 |
| ▸ | PPARA | Q07869 | 7/20 | 0.68 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.68 |
| ▸ | TSHR | P16473 | 5/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.68 |
| ▸ | TLR2 | O60603 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | FABP4 | P15090 | 2/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.68 |
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 SCHEMBL27801950 | 1.00 | AKR1B1 (0.71) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Octanedioate SCHEMBL27976267 | 0.98 | GPR84 (0.73) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Octanedioate SCHEMBL28032727 | 0.98 | GPR84 (0.73) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Stearic Acid SCHEMBL27983645 | 0.95 | GPR84 (0.77) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Octanoic Acid SCHEMBL1428269 | 0.95 | GPR84 (0.77) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Palmitic Acid SCHEMBL21834586 | 0.95 | GPR84 (0.77) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Gamma-Aminobutyric Acid SCHEMBL28030037 | 0.95 | HDAC11 (0.75) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Glutarate SCHEMBL29048611 | 0.95 | HDAC11 (0.67) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Adipic Acid SCHEMBL28095697 | 0.93 | AKR1B1 (0.76) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| 5-Aminovaleric Acid SCHEMBL28204569 | 0.93 | CYP2D6 (0.76) | AKR1B1CYP2D6NFKB1GPR84PPARG |
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 |
|---|---|---|---|---|---|---|---|
| CN-112513991-A | Systems, methods, and computer program products for predicting polymer properties | 科思创有限公司 | 2021-03-16 | — | — | CN | claimed |
| CN-112513991-A | Systems, methods, and computer program products for predicting polymer properties | 科思创有限公司 | 2021-03-16 | — | — | CN | disclosed |