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 | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.51 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16703170 | 0.77 | KDM4C (0.60) | KDM4DKDM4CALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL16711090 | 0.76 | KDM4C (0.50) | KDM4DKDM4CRAB9A | |
| SCHEMBL16710667 | 0.71 | GSK3B (0.70) | KDM4DKDM4CMAPT | |
| SCHEMBL18064949 | 0.70 | MCL1 (0.73) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| Tert-Butylamine SCHEMBL28092366 | 0.70 | GSK3B (0.58) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL28613060 | 0.70 | MCL1 (0.68) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL29643990 | 0.70 | MCL1 (0.68) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL28091052 | 0.69 | KDM4E (0.48) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL21595522 | 0.69 | HDAC3 (0.74) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL31734120 | 0.69 | HDAC3 (1.00) | HDAC3HDAC1HDAC2HDAC8HDAC6 |
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-105849097-A | Substituted pyridine derivatives as GSK-3 inhibitors | 百时美施贵宝公司 | 2016-08-10 | — | — | CN | disclosed |