Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 3/20 | 0.61 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.61 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MERTK | Q12866 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| 2-Pyrrolidone SCHEMBL27698785 | 0.92 | OR51E2 (0.62) | CRBNFKBP5OR51E2KDM4EGAA | |
| Sulfuric Acid SCHEMBL28455727 | 0.88 | CRBN (0.73) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL1521129 | 0.88 | CRBN (0.73) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL27970597 | 0.86 | CRBN (0.70) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL27823099 | 0.86 | CRBN (0.70) | CRBNFKBP5OR51E2KDM4EGAA | |
| Sulfuric Acid SCHEMBL30278662 | 0.86 | CRBN (0.76) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL28831685 | 0.84 | CRBN (0.67) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL27842057 | 0.84 | CRBN (0.67) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL17238720 | 0.82 | CRBN (0.64) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL28301539 | 0.81 | CRBN (0.84) | CRBNFKBP5OR51E2KDM4EGAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104341424-B | The method of ionic liquid-catalyzed nitrated synthesis TNAD | 南京理工大学 | 2016-07-06 | — | — | CN | claimed |
| CN-105315211-B | The method that high concentration fuming sulfuric acid catalysis of pimelinketone oxime prepares caprolactam | 中国石油化工股份有限公司 | 2018-01-09 | — | — | CN | disclosed |
| CN-105669342-B | A kind of method that p-tert-butyltoluene is synthesized using caprolactam class ionic liquid as catalyst | 中国石油大学(华东) | 2017-12-19 | — | — | CN | disclosed |
| CN-104341424-B | The method of ionic liquid-catalyzed nitrated synthesis TNAD | 南京理工大学 | 2016-07-06 | — | — | CN | disclosed |
| CN-105669342-A | Method of synthesizing p-tert-butyl toluene with caprolactam ionic liquid as catalyst | 中国石油大学(华东) | 2016-06-15 | — | — | CN | disclosed |