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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27718748 | 0.98 | TDP1 (0.42) | TDP1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27601010 | 0.89 | ALDH1A1 (0.41) | TDP1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27958701 | 0.85 | TDP1 (0.45) | TDP1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27998227 | 0.84 | TDP1 (0.43) | TDP1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27600872 | 0.83 | TDP1 (0.42) | TDP1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL28025116 | 0.83 | TDP1 (0.42) | TDP1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27997975 | 0.83 | TDP1 (0.42) | TDP1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27721169 | 0.83 | TDP1 (0.42) | TDP1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL28313688 | 0.83 | TDP1 (0.42) | TDP1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL28258224 | 0.82 | TDP1 (0.45) | TDP1ALDH1A1MEN1KMT2ASMN1; SMN2 |
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-103382206-B | Quinoline or quinazoline derivative, its preparation method and in application pharmaceutically | 上海恒瑞医药有限公司 | 2016-09-28 | — | — | CN | disclosed |