Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butyl Formate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27606011 | 1.00 | TDP1 (0.65) | TDP1HIF1AMAPTPDE4AKDR | |
| Tert-Butyl Formate SCHEMBL28092916 | 0.97 | TDP1 (0.68) | TDP1HIF1AMAPTPDE4AKDR | |
| Tert-Butyl Formate SCHEMBL27473155 | 0.97 | TDP1 (0.68) | TDP1HIF1AMAPTPDE4AKDR | |
| Tert-Butyl Formate SCHEMBL28331255 | 0.97 | TDP1 (0.68) | TDP1HIF1AMAPTPDE4AKDR | |
| Tert-Butyl Formate SCHEMBL28256721 | 0.95 | TDP1 (0.65) | TDP1HIF1AMAPTPDE4AKDR | |
| Tert-Butyl Formate SCHEMBL28055962 | 0.91 | TDP1 (0.59) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28000511 | 0.91 | TDP1 (0.59) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28147817 | 0.91 | TDP1 (0.59) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27853345 | 0.89 | TDP1 (0.56) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27565884 | 0.88 | TDP1 (0.62) | TDP1 |
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-101309918-B | [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases | LILLY CO ELI | 2010-12-29 | — | — | CN | disclosed |
| CN-101309918-A | [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases | LILLY CO ELI (US) | 2008-11-19 | — | — | CN | disclosed |