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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4002837 | 0.92 | SIGMAR1 (0.59) | SIGMAR1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL12205291 | 0.86 | ALDH1A1 (0.60) | SIGMAR1KDM4EALDH1A1MEN1KMT2A | |
| Tert-Butylamine SCHEMBL28089934 | 0.85 | KMT2A (0.58) | SIGMAR1KDM4EALDH1A1KMT2A | |
| SCHEMBL12640184 | 0.81 | SIGMAR1 (0.54) | SIGMAR1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL4393708 | 0.81 | KDM4E (0.59) | SIGMAR1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL27345675 | 0.81 | SIGMAR1 (0.57) | SIGMAR1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL5791973 | 0.79 | MEN1 (0.60) | SIGMAR1KDM4EALDH1A1MEN1KMT2A | |
| Tert-Butylamine SCHEMBL28089931 | 0.78 | L3MBTL1 (0.83) | SIGMAR1KDM4EALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL10153803 | 0.78 | SIGMAR1 (0.54) | SIGMAR1 | |
| SCHEMBL1519223 | 0.78 | MEN1 (0.69) | SIGMAR1MEN1KMT2AL3MBTL1S1PR5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103619838-B | Piperidinyl monocarboxylic acids as S1P1 receptor agonists | 生物计划公司 | 2016-08-24 | — | — | CN | disclosed |