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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
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 SCHEMBL4626958 | 1.00 | ALDH1A1 (0.35) | ALDH1A1TSHRTDP1 | |
| Deanol SCHEMBL8523382 | 0.81 | ALDH1A1 (0.41) | ALDH1A1 | |
| Ether SCHEMBL5492495 | 0.79 | — | — | |
| Ether SCHEMBL4973856 | 0.79 | — | — | |
| Ether SCHEMBL23611026 | 0.79 | — | — | |
| Ether SCHEMBL6 | 0.78 | — | — | |
| Ether SCHEMBL21406 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TSHR | |
| Ether SCHEMBL8160191 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TSHR | |
| Ether SCHEMBL9248046 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TSHR | |
| Ether SCHEMBL9248674 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7173157-B2 | Method for producing an allyl compound | MITSUBISHI CHEMICAL CORPORATION (JP) | 2007-02-06 | — | — | US | disclosed |
| EP-1046654-B1 | Olefin polymerization catalysts and olefin polymer production methods using said olefin polymerization catalysts | JSR CORP (JP) | 2005-06-29 | — | — | EP | disclosed |
| US-6525150-B1 | Such as vanadium 2,2'-thiobis(6-t-butyl-4-methylphenyl) oxychloride complex, trimethylaluminum and N,N-dimethyl-anilinium tetrakis(pentafluorophenyl)borate; high degree of copolymerization | JSR CORPORATION (JP) | 2003-02-25 | — | — | US | disclosed |
| EP-1046654-A1 | Olefin polymerization catalysts and olefin polymer production methods using said olefin polymerization catalysts | JSR Corporation (JP) | 2000-10-25 | — | — | EP | disclosed |