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 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6526896 | 0.86 | — | — | |
| Tert-Butylamine SCHEMBL4062442 | 0.69 | — | — | |
| SCHEMBL28488688 | 0.67 | ALDH1A1 (0.41) | ALDH1A1TDP1TRPA1 | |
| SCHEMBL6675846 | 0.67 | KMT2A (0.33) | — | |
| Tert-Butylamine SCHEMBL289315 | 0.66 | — | — | |
| Tert-Butylamine SCHEMBL27717339 | 0.66 | FFAR3 (0.58) | ALDH1A1TDP1 | |
| SCHEMBL8330396 | 0.65 | KDM4E (0.44) | ALDH1A1TDP1TRPA1 | |
| Tert-Butylamine SCHEMBL29006209 | 0.64 | FFAR3 (0.54) | ALDH1A1TDP1 | |
| Tert-Butylamine SCHEMBL28603936 | 0.64 | — | — | |
| SCHEMBL29050923 | 0.64 | ALDH1A1 (0.44) | ALDH1A1TDP1TRPA1 |
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-6150421-A | Treatment of estrogen-receptor positive breast cancer and estrogen-receptor negative breast cancer with retinoid with CH2 OH at the side chain terminal position | CORNELL RESEARCH FOUNDATION, INC. (US) | 2000-11-21 | — | — | US | disclosed |