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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | LTB4R2 | Q9NPC1 | 4/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4629932 | 0.97 | HTR2A (0.49) | HTR2ALTB4R2CNR2PPARAPPARG | |
| Tert-Butylamine SCHEMBL5329291 | 0.92 | LTB4R2 (0.45) | HTR2ALTB4R2PPARAPPARG | |
| Amantadine SCHEMBL5314989 | 0.89 | HTR2A (0.45) | HTR2ALTB4R2CNR2PPARAPPARG | |
| SCHEMBL4630557 | 0.89 | HTR2A (0.47) | HTR2ALTB4R2CNR2PPARAPPARG | |
| SCHEMBL4630408 | 0.89 | LTB4R2 (0.48) | HTR2ALTB4R2PPARAPPARG | |
| Tert-Butylamine SCHEMBL5312728 | 0.88 | CNR2 (0.57) | LTB4R2CNR2ALOX5 | |
| Tert-Butylamine SCHEMBL5311320 | 0.86 | LTB4R2 (0.43) | HTR2ALTB4R2PPARAPPARGMAOB | |
| SCHEMBL4630064 | 0.83 | CNR2 (0.62) | LTB4R2CNR2ALOX5 | |
| Tert-Butylamine SCHEMBL5309305 | 0.83 | LPAR1 (0.49) | ALOX5MAOB | |
| SCHEMBL4630699 | 0.83 | LTB4R2 (0.46) | HTR2ALTB4R2CNR2PPARAPPARG |
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 | disclosed |