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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.48 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.47 |
| ▸ | BCHE | P06276 | 14/20 | 0.46 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4630739 | 0.96 | LTB4R2 (0.52) | LTB4R2LPAR1BCHELPAR3 | |
| SCHEMBL4630721 | 0.93 | BCHE (0.54) | LTB4R2LPAR1BCHELPAR3 | |
| SCHEMBL4630497 | 0.89 | BCHE (0.47) | LTB4R2LPAR1BCHE | |
| Amantadine SCHEMBL5314966 | 0.88 | LTB4R2 (0.43) | LTB4R2LPAR1BCHELPAR3 | |
| Amantadine SCHEMBL5313147 | 0.85 | BCHE (0.46) | LTB4R2LPAR1BCHELPAR3 | |
| SCHEMBL4630403 | 0.85 | BCHE (0.51) | LPAR1BCHE | |
| Tert-Butylamine SCHEMBL5329291 | 0.82 | LTB4R2 (0.45) | LTB4R2 | |
| SCHEMBL4631519 | 0.82 | BCHE (0.57) | BCHE | |
| Tert-Butylamine SCHEMBL5311320 | 0.81 | LTB4R2 (0.43) | LTB4R2LPAR1 | |
| SCHEMBL4629865 | 0.79 | LTB4R2 (0.63) | LTB4R2LPAR1BCHELPAR3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007051995-A2 | TERT-BUTYLAMMONIUM SALT OR ADAMNTYLAMMONIUM SALT OF ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES | ASTRAZENECA AB (SE) | 2007-05-10 | — | — | WO | claimed |
| WO-2007051995-A2 | TERT-BUTYLAMMONIUM SALT OR ADAMNTYLAMMONIUM SALT OF ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES | ASTRAZENECA AB (SE) | 2007-05-10 | — | — | WO | disclosed |