Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 5/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24946395 | 0.88 | CYP2D6 (0.41) | CYP2D6PDK2GABRA1GABRB2KDM4E | |
| SCHEMBL18079829 | 0.80 | ADORA2A (0.42) | CYP2D6PDK2KDM4EMEN1LMNA | |
| SCHEMBL16544644 | 0.79 | CYP1A2 (0.43) | CYP2D6KDM4ELMNAMAPT | |
| SCHEMBL16544656 | 0.77 | CYP1A2 (0.42) | CYP2D6KDM4ELMNAMAPT | |
| SCHEMBL16544648 | 0.77 | CYP1A2 (0.42) | CYP2D6KDM4ELMNAMAPT | |
| SCHEMBL30606694 | 0.77 | CYP2D6 (0.41) | CYP2D6PDK2GABRA1GABRB2KDM4E | |
| SCHEMBL21064480 | 0.75 | PDK2 (0.48) | CYP2D6PDK2GABRA1GABRB2KDM4E | |
| SCHEMBL19577694 | 0.74 | ESR1 (0.47) | PDK2KDM4EMEN1LMNAMAPT | |
| SCHEMBL7320649 | 0.73 | CYP2D6 (0.58) | CYP2D6PDK2GABRA1GABRB2MEN1 | |
| SCHEMBL25988139 | 0.73 | DPP4 (0.46) | PDK2KDM4EMEN1LMNAMAPT |
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-2021156323-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2021-08-12 | — | — | WO | disclosed |