Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butylamine. 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 | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 3/20 | 0.42 |
| ▸ | PPARA | Q07869 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | EPOR | P19235 | 2/20 | 0.40 |
| ▸ | PTGIR | P43119 | 4/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.38 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
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-Butylamine SCHEMBL7654188 | 1.00 | PPARG (0.42) | PPARGPPARAMAOBEPORPTGIR | |
| Tert-Butylamine SCHEMBL7109384 | 0.94 | PPARA (0.41) | PPARGPPARAMAOBEPORPTGIR | |
| Tert-Butylamine SCHEMBL7105051 | 0.94 | PPARA (0.41) | PPARGPPARAMAOBEPORPTGIR | |
| Tert-Butylamine SCHEMBL7660735 | 0.94 | PPARA (0.41) | PPARGPPARAMAOBEPORPTGIR | |
| Tert-Butylamine SCHEMBL7661673 | 0.94 | PPARA (0.41) | PPARGPPARAMAOBEPORPTGIR | |
| SCHEMBL7109789 | 0.94 | EPOR (0.45) | PPARGPPARAMAOBEPORPTGIR | |
| SCHEMBL7111874 | 0.94 | EPOR (0.45) | PPARGPPARAMAOBEPORPTGIR | |
| SCHEMBL7111880 | 0.94 | EPOR (0.45) | PPARGPPARAMAOBEPORPTGIR | |
| Tert-Butylamine SCHEMBL7111064 | 0.84 | CYP2C19 (0.40) | PPARGPPARAMAOBEPORPTGIR | |
| Tert-Butylamine SCHEMBL7656410 | 0.84 | CYP2C19 (0.40) | PPARGPPARAMAOBEPORPTGIR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1013639-B1 | Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit | HOFFMANN LA ROCHE (CH) | 2003-10-01 | — | — | EP | disclosed |
| US-6335459-B1 | PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION | SYNTEX (U.S.A.) LLC | 2002-01-01 | — | — | US | disclosed |
| EP-1013639-A1 | Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-28 | — | — | EP | disclosed |