Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.53 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.43 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL824170 | 0.85 | MAP3K14 (0.46) | PDK2MAP3K14P2RX1P2RX3P2RX4 | |
| SCHEMBL21732768 | 0.82 | PDK2 (0.61) | PDK2SCN9A | |
| SCHEMBL19152841 | 0.79 | PDK2 (0.55) | PDK2AKR1A1AKR1B1 | |
| SCHEMBL26025129 | 0.78 | PDK2 (0.41) | PDK2MAP3K14AKR1A1AKR1B1 | |
| SCHEMBL25625063 | 0.78 | MAP3K14 (0.41) | PDK2MAP3K14P2RX1P2RX3P2RX4 | |
| SCHEMBL18167755 | 0.77 | PDK2 (0.56) | PDK2MAPT | |
| SCHEMBL7433395 | 0.77 | PDK2 (0.54) | PDK2P2RX1P2RX3P2RX4P2RX7 | |
| SCHEMBL3038890 | 0.77 | PDK2 (0.53) | PDK2P2RX1P2RX3P2RX4P2RX7 | |
| SCHEMBL31483494 | 0.77 | PDK2 (0.53) | PDK2P2RX1P2RX3P2RX4P2RX7 | |
| SCHEMBL23125610 | 0.76 | BCHE (0.45) | PDK2MAP3K14P2RX1P2RX3P2RX4 |
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-6162824-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | ALLELIX NEUROSCIENCE INC. | 2000-12-19 | — | — | US | disclosed |
| WO-1999041227-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELIX NEUROSCIENCE, INC. (US) | 1999-08-19 | — | — | WO | disclosed |