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 | |
|---|---|---|---|---|
| ▸ | LTB4R2 | Q9NPC1 | 4/20 | 0.45 |
| ▸ | PPARA | Q07869 | 4/20 | 0.45 |
| ▸ | PPARG | P37231 | 3/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4630408 | 0.97 | LTB4R2 (0.48) | LTB4R2PPARAPPARGFFAR1FFAR4 | |
| Tert-Butylamine SCHEMBL5311320 | 0.94 | LTB4R2 (0.43) | LTB4R2PPARAPPARGFFAR1FFAR4 | |
| Tert-Butylamine SCHEMBL5316249 | 0.92 | HTR2A (0.46) | LTB4R2PPARAPPARGHTR2A | |
| SCHEMBL4630741 | 0.91 | LTB4R2 (0.46) | LTB4R2PPARAFFAR1FFAR4HTR2A | |
| Amantadine SCHEMBL5311991 | 0.89 | LTB4R2 (0.41) | LTB4R2PPARAPPARGFFAR1FFAR4 | |
| SCHEMBL4631046 | 0.89 | PPARG (0.42) | LTB4R2PPARAPPARGFFAR1FFAR4 | |
| SCHEMBL4629932 | 0.89 | HTR2A (0.49) | LTB4R2PPARAPPARGHTR2A | |
| SCHEMBL4629865 | 0.84 | LTB4R2 (0.63) | LTB4R2 | |
| Amantadine SCHEMBL5312024 | 0.84 | HTR2A (0.39) | LTB4R2PPARAFFAR1FFAR4HTR2A | |
| SCHEMBL4630483 | 0.83 | LTB4R2 (0.47) | LTB4R2PPARAPPARGPPARD |
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 |