Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | POLA1 | P09884 | 2/20 | 0.34 |
| ▸ | KARS1 | Q15046 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16108461 | 0.74 | THRB (0.38) | AKR1C1NPSR1RXRAAPEX1MAPK1 | |
| SCHEMBL15657621 | 0.72 | SLC6A2 (0.31) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13447808 | 0.72 | TRPA1 (0.32) | — | |
| SCHEMBL31435818 | 0.70 | TRPA1 (0.40) | AKR1C1NPSR1POLA1NR1H2NR1H3 | |
| SCHEMBL11056810 | 0.70 | DPP4 (0.31) | SLC6A2SLC6A4SLC6A3SLC18A3 | |
| SCHEMBL11056807 | 0.70 | DPP4 (0.31) | SLC6A2SLC6A4SLC6A3SLC18A3 | |
| SCHEMBL317325 | 0.68 | TRPA1 (0.46) | AKR1C1MMP2POLA1CYP2C19RXRA | |
| SCHEMBL1756637 | 0.68 | TRPA1 (0.46) | CYP2C19LMNAHTT | |
| SCHEMBL2126895 | 0.67 | HPGD (0.46) | LMNAHTT | |
| SCHEMBL16061616 | 0.67 | HPGD (0.41) | POLA1POLBPDE4D |
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-111484523-B | Preparation method of optically pure trans-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid | 南京工业大学 | 2022-07-08 | — | — | CN | claimed |
| CN-111484523-A | Preparation method of optically pure trans-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid | 南京工业大学 | 2020-08-04 | — | — | CN | claimed |