Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8401724 | 0.88 | RECQL (0.36) | ACHE | |
| SCHEMBL7664952 | 0.88 | ACHE (0.33) | PDK1PDK2PDK3PDK4ACHE | |
| SCHEMBL8401940 | 0.87 | ACHE (0.31) | PDK1PDK2PDK3PDK4ACHE | |
| SCHEMBL8405612 | 0.86 | PDK1 (0.32) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL7664910 | 0.80 | PDK1 (0.36) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL237725 | 0.79 | ACHE (0.30) | PDK1PDK2PDK3PDK4ACHE | |
| SCHEMBL237726 | 0.79 | ACHE (0.30) | PDK1PDK2PDK3PDK4ACHE | |
| SCHEMBL8406507 | 0.78 | MMP2 (0.34) | — | |
| SCHEMBL7662506 | 0.77 | PDK1 (0.32) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL7666530 | 0.76 | FPR2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5849768-A | α-unsaturated amines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-15 | — | — | US | disclosed |