Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12263020 | 0.74 | CYP2A6 (0.45) | PDK2CYP11B1CYP11B2 | |
| SCHEMBL25744593 | 0.72 | LIMK1 (0.34) | CYP11B1 | |
| SCHEMBL25647921 | 0.72 | — | — | |
| SCHEMBL22007100 | 0.67 | CYP11B1 (0.51) | PDK2CYP11B1CYP11B2 | |
| SCHEMBL14461162 | 0.66 | ALDH1A1 (0.58) | PDK2CYP11B1CYP11B2 | |
| SCHEMBL12263392 | 0.65 | ATM (0.43) | PDK2 | |
| SCHEMBL12338219 | 0.65 | CYP11B1 (0.49) | CYP11B1CYP11B2 | |
| SCHEMBL17320743 | 0.65 | CYP11B1 (0.49) | PDK2CYP11B1CYP11B2 | |
| SCHEMBL26460310 | 0.65 | CYP11B1 (0.45) | PDK2CYP11B1CYP11B2 | |
| SCHEMBL13911013 | 0.64 | CYP2A6 (0.58) | CYP11B1CYP11B2 |
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-9796684-B2 | Materials for organic electroluminescence devices | MERCK PATENT GMBH (DE) | 2017-10-24 | — | — | US | disclosed |