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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL458560 | 0.91 | SMN1; SMN2 (0.61) | SMN1; SMN2LMNAKCNH2GNAI3GNAO1 | |
| Tert-Butylamine SCHEMBL28089805 | 0.90 | KCNH2 (0.49) | SMN1; SMN2LMNAKCNH2GNAI3GNAO1 | |
| Hydrochloric Acid SCHEMBL5065549 | 0.89 | SMN1; SMN2 (0.64) | SMN1; SMN2LMNAKCNH2GNAI3GNAO1 | |
| SCHEMBL22675343 | 0.80 | SMN1; SMN2 (0.62) | SMN1; SMN2S1PR5S1PR4S1PR1S1PR3 | |
| SCHEMBL6944812 | 0.80 | KCNH2 (0.55) | SMN1; SMN2KCNH2GNAI3GNAO1GNAI1 | |
| SCHEMBL22677330 | 0.80 | SMN1; SMN2 (0.62) | SMN1; SMN2S1PR5S1PR4S1PR1S1PR3 | |
| SCHEMBL13102175 | 0.80 | SMN1; SMN2 (0.62) | SMN1; SMN2S1PR5S1PR4S1PR1S1PR3 | |
| Tert-Butylamine SCHEMBL27942385 | 0.80 | LMNA (0.50) | LMNA | |
| SCHEMBL19514340 | 0.79 | LTA4H (0.47) | SMN1; SMN2LMNALTA4HL3MBTL1 | |
| SCHEMBL1495974 | 0.79 | LMNA (0.46) | SMN1; SMN2LMNAKCNH2LTA4HL3MBTL1 |
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 |