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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 15/20 | 0.47 |
| ▸ | PPARG | P37231 | 13/20 | 0.47 |
| ▸ | PPARD | Q03181 | 7/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.41 |
| ▸ | CPA1 | P15085 | 1/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6255825 | 0.97 | PPARA (0.50) | PPARAPPARGPPARDFFAR1MME | |
| SCHEMBL5721599 | 0.93 | PPARA (0.49) | PPARAPPARGPPARDFFAR1UTS2R | |
| SCHEMBL5294554 | 0.88 | PPARA (0.53) | PPARAPPARGPPARDFFAR1MME | |
| SCHEMBL4819304 | 0.86 | PPARA (0.49) | PPARAPPARGPPARDFFAR1 | |
| SCHEMBL5721963 | 0.85 | PPARA (0.51) | PPARAPPARGPPARDFFAR1UTS2R | |
| SCHEMBL5721779 | 0.85 | PPARA (0.47) | PPARAPPARGPPARDALDH1A1 | |
| Tert-Butylamine SCHEMBL6319866 | 0.83 | PPARA (0.48) | PPARAPPARGPPARDALDH1A1 | |
| Tert-Butylamine SCHEMBL3962778 | 0.79 | PPARA (0.49) | PPARAPPARGPPARD | |
| SCHEMBL3968108 | 0.78 | PPARA (0.60) | PPARAPPARGPPARD | |
| SCHEMBL5721478 | 0.77 | PPARA (0.50) | PPARAPPARGPPARDALDH1A1 |
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-1572626-A1 | THERAPEUTIC AGENTS | Astrazeneca AB (SE) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004056748-A1 | THERAPEUTIC AGENTS | ASTRAZENECA AB (SE) | 2004-07-08 | — | — | WO | disclosed |