Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.60 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.60 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.58 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL4744065 | 0.89 | HRH3 (0.56) | PDK1PDK2HRH3ALDH2SIGMAR1 | |
| SCHEMBL4744391 | 0.89 | HRH3 (0.57) | PDK1PDK2HRH3SIGMAR1BCHE | |
| SCHEMBL4745200 | 0.88 | HRH3 (0.55) | PDK1PDK2HRH3SIGMAR1 | |
| SCHEMBL4744412 | 0.88 | HRH3 (0.55) | PDK1PDK2HRH3SIGMAR1 | |
| SCHEMBL4742735 | 0.88 | HRH3 (0.61) | PDK1PDK2HRH3SIGMAR1BCHE | |
| SCHEMBL4742556 | 0.87 | HRH3 (0.54) | PDK1PDK2HRH3ALDH2SIGMAR1 | |
| SCHEMBL4746414 | 0.87 | SIGMAR1 (0.61) | PDK1PDK2HRH3SIGMAR1BCHE | |
| SCHEMBL4741928 | 0.86 | HRH3 (0.54) | PDK1PDK2HRH3ALDH2SIGMAR1 | |
| SCHEMBL4745128 | 0.86 | HRH3 (0.54) | PDK1PDK2HRH3ALDH2SIGMAR1 | |
| SCHEMBL4741948 | 0.86 | HRH3 (0.51) | PDK1PDK2HRH3ALDH2SIGMAR1 |
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-2008107321-A1 | HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS | CEREP (FR) | 2008-09-12 | — | — | WO | disclosed |