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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
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 SCHEMBL27697695 | 0.99 | HTR6 (0.47) | HTR6ADRB1HTR3EHTR3BDRD2 | |
| Tert-Butyl Formate SCHEMBL27656471 | 0.83 | HTR6 (0.70) | HTR6ADRB1HTR3EHTR3BDRD2 | |
| Tert-Butyl Formate SCHEMBL27790951 | 0.82 | ADRB1 (0.47) | HTR6ADRB1HTR3EHTR3BDRD2 | |
| Tert-Butyl Formate SCHEMBL27974539 | 0.82 | ADRB1 (0.47) | HTR6ADRB1HTR3EHTR3BDRD2 | |
| Piperazine SCHEMBL28234322 | 0.82 | HTR6 (0.61) | HTR6ADRB1HTR3EHTR3BDRD2 | |
| Tert-Butyl Formate SCHEMBL28112679 | 0.82 | HTR6 (0.44) | HTR6ADRB1HTR3EHTR3BHTR3A | |
| Ethane SCHEMBL11509421 | 0.81 | ADRB1 (0.61) | HTR6ADRB1HTR3EHTR3BDRD2 | |
| Tert-Butyl Formate SCHEMBL27621449 | 0.81 | KDR (0.41) | HTR6ADRB1HTR3EHTR3BDRD2 | |
| SCHEMBL29446041 | 0.81 | HTR6 (0.62) | HTR6ADRB1HTR3EHTR3BDRD2 | |
| SCHEMBL232830 | 0.81 | HTR6 (0.62) | HTR6ADRB1HTR3EHTR3BDRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912514-A | (2- heteroaryl aminocarbonyl phenyl) azepine ring derivatives and application thereof | 广东东阳光药业有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-106279071-B | Phenylpiperazine derivatives and its application method and purposes | 广东东阳光药业有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-106279071-A | Phenylpiperazine derivatives and using method thereof and purposes | 广东东阳光药业有限公司 | 2017-01-04 | — | — | CN | disclosed |