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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 9/20 | 0.43 |
| ▸ | PPARA | Q07869 | 9/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 5/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 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 | |
|---|---|---|---|---|
| SCHEMBL4631232 | 0.97 | PPARG (0.45) | PPARGPPARALTB4R2CNR2 | |
| Amantadine SCHEMBL5311304 | 0.89 | PPARG (0.39) | PPARGPPARALTB4R2CNR2 | |
| SCHEMBL4630699 | 0.89 | LTB4R2 (0.46) | PPARGPPARALTB4R2CNR2PPARD | |
| SCHEMBL5308603 | 0.87 | LTB4R2 (0.40) | PPARGPPARALTB4R2CNR2PPARD | |
| SCHEMBL4630483 | 0.83 | LTB4R2 (0.47) | PPARGPPARALTB4R2PPARD | |
| Tert-Butylamine SCHEMBL5316249 | 0.82 | HTR2A (0.46) | PPARGPPARALTB4R2CNR2SOAT1 | |
| Amantadine SCHEMBL5309511 | 0.82 | LTB4R2 (0.39) | PPARGPPARALTB4R2CNR2PPARD | |
| SCHEMBL4773324 | 0.80 | CNR2 (0.42) | PPARGPPARACNR2PPARDSOAT1 | |
| SCHEMBL4631128 | 0.80 | CNR2 (0.42) | PPARGPPARALTB4R2CNR2PPARD | |
| SCHEMBL4629932 | 0.78 | HTR2A (0.49) | PPARGPPARALTB4R2CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007051995-A2 | TERT-BUTYLAMMONIUM SALT OR ADAMNTYLAMMONIUM SALT OF ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES | ASTRAZENECA AB (SE) | 2007-05-10 | — | — | WO | claimed |