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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPOR | P19235 | 7/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 6/20 | 0.38 |
| ▸ | PPARG | P37231 | 5/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7111053 | 0.87 | PPARA (0.50) | EPORMAOBALOX5ALOX5APPTGS1 | |
| SCHEMBL7661832 | 0.82 | EPOR (0.45) | EPORMAOBALOX5ALOX5APPTGS1 | |
| Tert-Butylamine SCHEMBL7109741 | 0.81 | EPOR (0.43) | EPORMAOBPTGS1PTGS2SMN1; SMN2 | |
| Tert-Butylamine SCHEMBL7653779 | 0.81 | CYSLTR2 (0.47) | EPORMAOBALOX5ALOX5APPTGS1 | |
| Tert-Butylamine SCHEMBL7653777 | 0.81 | CYSLTR2 (0.47) | EPORMAOBALOX5ALOX5APPTGS1 | |
| Tert-Butylamine SCHEMBL7659363 | 0.81 | CACNA1B (0.48) | EPORMAOBPPARG | |
| Tert-Butylamine SCHEMBL7107931 | 0.81 | CACNA1B (0.48) | EPORMAOBPPARG | |
| SCHEMBL7656326 | 0.79 | EPOR (0.43) | EPORALOX5ALOX5APPTGS1PTGS2 | |
| SCHEMBL7107402 | 0.79 | MAOB (0.49) | EPORMAOBALOX5ALOX5APPTGS1 | |
| SCHEMBL7112435 | 0.78 | MAOB (0.51) | EPORMAOBALOX5ALOX5APPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1013639-B1 | Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit | HOFFMANN LA ROCHE (CH) | 2003-10-01 | — | — | EP | 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 |