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 | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 4/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1973610 | 0.91 | ESR1 (0.52) | CNR1CNR2ESR1ESR2AOC3 | |
| SCHEMBL69257 | 0.85 | ESR1 (0.57) | CNR1CNR2ESR1ESR2MEN1 | |
| Butylamine SCHEMBL9108656 | 0.83 | HRH1 (0.55) | CNR1CNR2ESR1ESR2AOC3 | |
| Ammonia Solution, Strong SCHEMBL6327541 | 0.83 | ESR1 (0.55) | CNR1CNR2ESR1ESR2MEN1 | |
| SCHEMBL3117867 | 0.83 | CNR1 (0.45) | CNR1CNR2ESR1ESR2AOC3 | |
| Benzylamine SCHEMBL9392739 | 0.81 | ABAT (0.48) | CNR1CNR2ESR1ESR2MEN1 | |
| Hydrogen Peroxide SCHEMBL27864054 | 0.81 | HRH1 (0.54) | CNR1CNR2AOC3MEN1KMT2A | |
| SCHEMBL7517085 | 0.80 | SIGMAR1 (0.50) | CNR1CNR2ESR1ESR2MEN1 | |
| Benzylamine SCHEMBL9396063 | 0.80 | ABAT (0.47) | CNR1CNR2ESR1ESR2MEN1 | |
| SCHEMBL4946739 | 0.80 | ESR1 (0.54) | CNR1CNR2ESR1ESR2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995010269-A1 | TREATMENT OF URINARY INCONTINENCE AND OTHER DISORDERS WITH R-TERODILINE AND HYDROXYLATED DERIVATIVES THEREOF | SEPRACOR, INC. (US) | 1995-04-20 | — | — | WO | claimed |
| WO-1995010270-A1 | METHOD FOR TREATING URINARY INCONTINENCE USING OPTICALLY PURE S-TERODILINE | SEPRACOR, INC. (US) | 1995-04-20 | — | — | WO | claimed |