Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butyl Hydroperoxide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL5705252 | 0.89 | CYP3A4 (0.59) | CYP3A4TSHRATMTDP1L3MBTL1 | |
| Bicarbonate SCHEMBL687626 | 0.89 | CYP3A4 (0.59) | CYP3A4TSHRATMTDP1L3MBTL1 | |
| Bicarbonate SCHEMBL28392070 | 0.87 | CYP3A4 (0.50) | CYP3A4TSHRATMTDP1L3MBTL1 | |
| Tert-Butyl Hydroperoxide SCHEMBL27590561 | 0.85 | CYP3A4 (0.57) | CYP3A4TSHRATMTDP1L3MBTL1 | |
| SCHEMBL29218988 | 0.85 | TSHR (0.50) | CYP3A4TSHRATMTDP1L3MBTL1 | |
| Tert-Butyl Hydroperoxide SCHEMBL28198097 | 0.82 | ALDH1A1 (0.54) | CYP3A4TSHRATMTDP1L3MBTL1 | |
| Tert-Butyl Hydroperoxide SCHEMBL27824851 | 0.81 | CA2 (0.44) | CYP3A4TSHRATMTDP1L3MBTL1 | |
| Bicarbonate SCHEMBL27521050 | 0.81 | CA2 (0.58) | CYP3A4TSHRATMTDP1L3MBTL1 | |
| SCHEMBL9663040 | 0.81 | CYP3A4 (0.54) | CYP3A4TSHRATMTDP1L3MBTL1 | |
| Bicarbonate SCHEMBL28885295 | 0.81 | CYP3A4 (0.47) | CYP3A4TSHRATMTDP1L3MBTL1 |
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-102153958-A | EVA (ethylene-vinyl acetate) adhesive film for heat-resistant solar battery, and preparation method and application thereof | GUANGZHOU BAOLIDA ELECTRICAL MATERIAL CO LTD | 2011-08-17 | — | — | CN | disclosed |