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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.47 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.47 |
| ▸ | EPOR | P19235 | 7/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 SCHEMBL7653779 | 1.00 | CYSLTR2 (0.47) | CYSLTR2CYSLTR1EPORPPARANPC1 | |
| SCHEMBL7111045 | 0.91 | PPARA (0.50) | CYSLTR2CYSLTR1EPORPPARANPC1 | |
| SCHEMBL7657096 | 0.91 | PPARA (0.50) | CYSLTR2CYSLTR1EPORPPARANPC1 | |
| Tert-Butylamine SCHEMBL7657275 | 0.85 | HDAC3 (0.39) | EPORMAOBAKR1B1SMN1; SMN2FFAR1 | |
| Tert-Butylamine SCHEMBL7657274 | 0.83 | CYP4F2 (0.39) | EPORMAOBFFAR1FFAR4 | |
| Tert-Butylamine SCHEMBL7657269 | 0.83 | CYP4F2 (0.39) | EPORMAOBFFAR1FFAR4 | |
| SCHEMBL7105126 | 0.82 | EPOR (0.46) | EPORPPARANPC1RAB9AMAOB | |
| SCHEMBL7112433 | 0.82 | EPOR (0.46) | EPORPPARANPC1RAB9AMAOB | |
| SCHEMBL7105134 | 0.82 | EPOR (0.46) | EPORPPARANPC1RAB9AMAOB | |
| Tert-Butylamine SCHEMBL7660735 | 0.82 | PPARA (0.41) | CYSLTR2EPORPPARAMAOBALOX5 |
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 |