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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 known ✓ | O75874 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 10/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28129477 | 0.96 | EPHX2 (0.42) | EPHX2CYP2C9CYP2C19CYP2J2IDH1 | |
| Tert-Butylamine SCHEMBL28129319 | 0.88 | PDE2A (0.43) | PDE2AHTTSMN1; SMN2 | |
| Tert-Butylamine SCHEMBL28129278 | 0.87 | EPHX2 (0.40) | EPHX2CYP2C9PDE2AP2RX3P2RX2 | |
| Tert-Butylamine SCHEMBL28093771 | 0.86 | HTT (0.53) | EPHX2CYP2C9CYP2C19CYP2J2IDH1 | |
| Tert-Butylamine SCHEMBL27931938 | 0.85 | EPHX2 (0.42) | EPHX2CYP2C9CYP2C19CYP2J2IDH1 | |
| Tert-Butylamine SCHEMBL28130129 | 0.84 | P2RX3 (0.39) | PDE2AP2RX3P2RX2 | |
| Tert-Butylamine SCHEMBL27913922 | 0.83 | EPHX2 (0.43) | EPHX2CYP2C9CYP2C19CYP2J2IDH1 | |
| Tert-Butylamine SCHEMBL28093735 | 0.83 | ROCK2 (0.44) | CYP2C9PDE2AP2RX3P2RX2MAPK1 | |
| Tert-Butylamine SCHEMBL27913627 | 0.82 | EPHX2 (0.47) | EPHX2CYP2C9CYP2C19CYP2J2IDH1 | |
| SCHEMBL28840721 | 0.82 | HTT (0.56) | EPHX2CYP2C9CYP2C19CYP2J2IDH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478497-A | Aryl amine derivatives as TTX S blocker | 拉夸里亚创药株式会社 | 2017-03-08 | — | — | CN | claimed |
| CN-103249721-B | Arylamine Derivatives as TTX-S Blockers | 拉夸里亚创药株式会社 | 2016-10-12 | — | — | CN | claimed |