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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 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 | |
|---|---|---|---|---|
| Tert-Butylamine SCHEMBL28089794 | 0.85 | SIGMAR1 (0.52) | KMT2AKDM4ESIGMAR1ALDH1A1 | |
| SCHEMBL21061654 | 0.85 | ALDH1A1 (0.65) | KMT2AKDM4ESIGMAR1ALDH1A1CHRNB2 | |
| SCHEMBL4379439 | 0.83 | KMT2A (0.61) | KMT2AKDM4ESIGMAR1ALDH1A1CHRNB2 | |
| SCHEMBL12640183 | 0.83 | KMT2A (0.64) | KMT2AKDM4ESIGMAR1ALDH1A1CHRNB2 | |
| SCHEMBL17471175 | 0.78 | CHRNB2 (0.62) | KMT2AKDM4ESIGMAR1ALDH1A1CHRNB2 | |
| SCHEMBL1475020 | 0.78 | SIGMAR1 (0.70) | KMT2AKDM4ESIGMAR1ALDH1A1CHRM3 | |
| SCHEMBL1519223 | 0.77 | MEN1 (0.69) | KMT2ASIGMAR1 | |
| SCHEMBL803669 | 0.77 | CHRNB2 (0.60) | KMT2AKDM4ESIGMAR1ALDH1A1CHRNB2 | |
| SCHEMBL5771372 | 0.77 | ACHE (0.58) | KMT2AKDM4ESIGMAR1ALDH1A1CHRNB2 | |
| Tert-Butylamine SCHEMBL28089931 | 0.77 | L3MBTL1 (0.83) | KMT2AKDM4ESIGMAR1ALDH1A1MAPT |
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 |