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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.83 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6994948 | 0.92 | L3MBTL1 (0.97) | L3MBTL1KDM4ECYP2C19POLBCYP2D6 | |
| SCHEMBL21061969 | 0.84 | L3MBTL1 (0.82) | L3MBTL1KDM4ECYP2C19POLBCYP2D6 | |
| SCHEMBL21061629 | 0.84 | L3MBTL1 (0.82) | L3MBTL1KDM4ECYP2C19POLBCYP2D6 | |
| SCHEMBL4387098 | 0.83 | L3MBTL1 (0.75) | L3MBTL1KDM4ECYP2C19POLBCYP2D6 | |
| Hydrochloric Acid SCHEMBL27515725 | 0.82 | L3MBTL1 (0.78) | L3MBTL1KDM4ECYP2C19POLBCYP2D6 | |
| SCHEMBL30370085 | 0.78 | L3MBTL1 (0.72) | L3MBTL1KDM4ECYP2C19POLBCYP2D6 | |
| SCHEMBL13905827 | 0.78 | L3MBTL1 (0.72) | L3MBTL1KDM4ECYP2C19POLBCYP2D6 | |
| Tert-Butylamine SCHEMBL28089794 | 0.78 | SIGMAR1 (0.52) | L3MBTL1KDM4EALDH1A1SIGMAR1KMT2A | |
| SCHEMBL6995476 | 0.78 | L3MBTL1 (0.67) | L3MBTL1KDM4ECYP2C19POLBCYP2D6 | |
| SCHEMBL12776472 | 0.77 | L3MBTL1 (0.58) | L3MBTL1KDM4ECYP2C19POLBCYP2D6 |
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 |