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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | EPOR | P19235 | 3/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
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 SCHEMBL7657269 | 1.00 | CYP4F2 (0.39) | CYP4F2CYP4A11EPORLTB4RLTB4R2 | |
| Tert-Butylamine SCHEMBL7657275 | 0.94 | HDAC3 (0.39) | CYP4F2CYP4A11EPORLTB4RLTB4R2 | |
| SCHEMBL7107398 | 0.94 | CYP4F2 (0.41) | CYP4F2CYP4A11EPORLTB4RLTB4R2 | |
| SCHEMBL7653702 | 0.94 | CYP4F2 (0.41) | CYP4F2CYP4A11EPORLTB4RLTB4R2 | |
| SCHEMBL7657160 | 0.87 | HDAC3 (0.43) | CYP4F2CYP4A11EPORLTB4RFFAR1 | |
| SCHEMBL7111901 | 0.87 | HDAC3 (0.43) | CYP4F2CYP4A11EPORLTB4RFFAR1 | |
| Tert-Butylamine SCHEMBL7653777 | 0.83 | CYSLTR2 (0.47) | EPORFFAR1FFAR4MAOB | |
| Tert-Butylamine SCHEMBL7653779 | 0.83 | CYSLTR2 (0.47) | EPORFFAR1FFAR4MAOB | |
| Tert-Butylamine SCHEMBL7659363 | 0.83 | CACNA1B (0.48) | EPORCACNA1BMAOB | |
| Tert-Butylamine SCHEMBL7107931 | 0.83 | CACNA1B (0.48) | EPORCACNA1BMAOB |
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 |