Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25070390 | 0.94 | PDK2 (0.40) | PDK2SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL25070530 | 0.85 | APP (0.42) | PDK2SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL25445453 | 0.83 | MAP4K4 (0.38) | PDK2 | |
| SCHEMBL10027687 | 0.82 | PDK2 (0.40) | PDK2PGRKMT2AMEN1 | |
| SCHEMBL20345612 | 0.82 | PDK2 (0.42) | PDK2PGRTDP2 | |
| SCHEMBL25444650 | 0.82 | MCL1 (0.38) | PDK2BACE1 | |
| SCHEMBL25445532 | 0.82 | MCL1 (0.38) | PDK2BACE1 | |
| SCHEMBL12865633 | 0.81 | HSD17B1 (0.50) | PDK2SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL25445903 | 0.80 | PDK2 (0.38) | PDK2 | |
| SCHEMBL13385084 | 0.80 | PDK2 (0.52) | PDK2SMN1; SMN2CYP1A2CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230053362-A1 | DICHROIC DYE COMPOSITION | MERCK PATENT GMBH (DE) | 2023-02-23 | — | — | US | disclosed |
| EP-3458549-B1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |