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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 8/20 | 0.48 |
| ▸ | TTR | P02766 | 3/20 | 0.41 |
| ▸ | EPOR | P19235 | 1/20 | 0.39 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| Tert-Butylamine SCHEMBL7107931 | 1.00 | CACNA1B (0.48) | CACNA1BTTREPORFBP1UNG | |
| Tert-Butylamine SCHEMBL7105104 | 0.89 | CACNA1B (0.40) | CACNA1BTTRFBP1UNGPPARG | |
| Tert-Butylamine SCHEMBL7650662 | 0.89 | CACNA1B (0.40) | CACNA1BTTRFBP1UNGPPARG | |
| Tert-Butylamine SCHEMBL7109741 | 0.83 | EPOR (0.43) | CACNA1BEPORMAOB | |
| Tert-Butylamine SCHEMBL7657274 | 0.83 | CYP4F2 (0.39) | CACNA1BEPORMAOB | |
| Tert-Butylamine SCHEMBL7657269 | 0.83 | CYP4F2 (0.39) | CACNA1BEPORMAOB | |
| Tert-Butylamine SCHEMBL7657275 | 0.81 | HDAC3 (0.39) | CACNA1BEPORMAOB | |
| SCHEMBL7107759 | 0.81 | MMP1 (0.47) | EPORMAOBMMP1MMP2MMP9 | |
| Tert-Butylamine SCHEMBL7112471 | 0.81 | EPOR (0.46) | EPORPPARGMAOB | |
| Tert-Butylamine SCHEMBL7653777 | 0.81 | CYSLTR2 (0.47) | EPORMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-6335459-B1 | PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION | SYNTEX (U.S.A.) LLC | 2002-01-01 | — | — | US | disclosed |