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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 15/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30753564 | 0.94 | DPP4 (0.44) | DPP4DPP7DPP8CYP3A4PIN1 | |
| SCHEMBL897883 | 0.94 | DPP4 (0.44) | DPP4DPP7DPP8CYP3A4PIN1 | |
| SCHEMBL743824 | 0.94 | DPP4 (0.44) | DPP4DPP7DPP8CYP3A4PIN1 | |
| SCHEMBL30378432 | 0.94 | DPP4 (0.44) | DPP4DPP7DPP8CYP3A4PIN1 | |
| SCHEMBL13084120 | 0.86 | DPP4 (0.42) | DPP4DPP7DPP8CYP3A4NPC1 | |
| SCHEMBL6697319 | 0.83 | DPP4 (0.39) | DPP4DPP7CYP3A4PIN1NPC1 | |
| SCHEMBL344345 | 0.78 | CTRB1 (0.53) | DPP4PIN1 | |
| SCHEMBL344346 | 0.78 | CTRB1 (0.53) | DPP4PIN1 | |
| SCHEMBL15108794 | 0.78 | DPP4 (0.37) | DPP4DPP7DPP8CYP3A4NPC1 | |
| SCHEMBL15114869 | 0.78 | DPP4 (0.37) | DPP4DPP7DPP8CYP3A4NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012042534-A2 | PROCESSES FOR THE PREPARATION OF R-SITAGLIPTIN AND INTERMEDIATES THEREOF | GLENMARK GENERICS LIMITED (IN) | 2012-04-05 | — | — | WO | disclosed |