Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Caprolactam. 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 | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 3/20 | 0.67 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.67 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MERTK | Q12866 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.35 |
| ▸ | SIRT3 | Q9NTG7 | 4/20 | 0.35 |
| ▸ | CCR2 | P41597 | 3/20 | 0.34 |
| ▸ | CTSD | P07339 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 SCHEMBL27503412 | 0.91 | OR51E2 (0.68) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL1521129 | 0.91 | CRBN (0.73) | CRBNFKBP5OR51E2KDM4EGAA | |
| Sulfuric Acid SCHEMBL28455727 | 0.91 | CRBN (0.73) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL27823099 | 0.89 | CRBN (0.70) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL27970597 | 0.89 | CRBN (0.70) | CRBNFKBP5OR51E2KDM4EGAA | |
| Sulfuric Acid SCHEMBL30278662 | 0.89 | CRBN (0.76) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL27842057 | 0.88 | CRBN (0.67) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL10710154 | 0.87 | CRBN (0.80) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL17238720 | 0.86 | CRBN (0.64) | CRBNFKBP5OR51E2KDM4EGAA | |
| Caprolactam SCHEMBL28174316 | 0.84 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |