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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | EPOR | P19235 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | PTGIR | P43119 | 2/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.34 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.34 |
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 SCHEMBL7111064 | 1.00 | CYP2C19 (0.40) | CYP2C19CYP1A2PPARGPPARALTB4R | |
| Tert-Butylamine SCHEMBL7105104 | 0.85 | CACNA1B (0.40) | CYP2C19PPARGMAOB | |
| Tert-Butylamine SCHEMBL7650662 | 0.85 | CACNA1B (0.40) | CYP2C19PPARGMAOB | |
| Tert-Butylamine SCHEMBL7108542 | 0.84 | PPARG (0.42) | PPARGPPARAMAOBEPORPTGIR | |
| Tert-Butylamine SCHEMBL7654188 | 0.84 | PPARG (0.42) | PPARGPPARAMAOBEPORPTGIR | |
| Tert-Butylamine SCHEMBL7657274 | 0.80 | CYP4F2 (0.39) | LTB4RLTB4R2MAOBEPORCYP4F2 | |
| Tert-Butylamine SCHEMBL7657269 | 0.80 | CYP4F2 (0.39) | LTB4RLTB4R2MAOBEPORCYP4F2 | |
| Tert-Butylamine SCHEMBL7660735 | 0.79 | PPARA (0.41) | PPARGPPARAMAOBEPORPTGIR | |
| Tert-Butylamine SCHEMBL7105051 | 0.79 | PPARA (0.41) | PPARGPPARALTB4RLTB4R2MAOB | |
| Tert-Butylamine SCHEMBL7109384 | 0.79 | PPARA (0.41) | PPARGPPARAMAOBEPORPTGIR |
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 |