Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL22827426 | 0.83 | PDK2 (0.37) | HDAC4PDK2GABRA1GABRB2CYP2D6 | |
| SCHEMBL24258177 | 0.82 | HDAC4 (0.39) | HDAC4PDK2MTNR1AGABRA1GABRB2 | |
| SCHEMBL21911575 | 0.79 | HDAC4 (0.40) | HDAC4PDK2MTNR1AGABRA1GABRB2 | |
| SCHEMBL21936671 | 0.78 | HTR2C (0.36) | — | |
| SCHEMBL28677924 | 0.75 | ADRA2A (0.32) | — | |
| SCHEMBL21936938 | 0.74 | KRAS (0.33) | GABRA1GABRB2 | |
| SCHEMBL24185002 | 0.74 | PTGS1 (0.33) | GABRA1GABRB2 | |
| SCHEMBL24258180 | 0.73 | HDAC4 (0.40) | HDAC4PDK2GABRA1GABRB2CYP2D6 | |
| SCHEMBL22827158 | 0.71 | PDK2 (0.40) | HDAC4PDK2GABRA1GABRB2CYP2D6 | |
| SCHEMBL24046301 | 0.71 | HDAC4 (0.41) | HDAC4PDK2GABRA1GABRB2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4346815-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Schrödinger, Inc. (US) | 2024-04-10 | — | — | EP | disclosed |