Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 10/20 | 0.51 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7322252 | 0.84 | PDK2 (0.60) | PDK2P2RX1P2RX3P2RX4P2RX7 | |
| SCHEMBL23996970 | 0.82 | PDK2 (0.45) | PDK2P2RX1P2RX3P2RX4P2RX7 | |
| SCHEMBL7321773 | 0.81 | PDK2 (0.51) | PDK2P2RX1P2RX3P2RX4P2RX7 | |
| SCHEMBL7312094 | 0.77 | LMNA (0.53) | PDK2ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL7308746 | 0.74 | PDK2 (0.48) | PDK2P2RX1P2RX3P2RX4P2RX7 | |
| SCHEMBL3923017 | 0.74 | PDK2 (0.47) | PDK2 | |
| SCHEMBL7322862 | 0.74 | PDK2 (0.50) | PDK2 | |
| SCHEMBL813078 | 0.73 | THRB (0.52) | PDK2P2RX1P2RX3P2RX4P2RX7 | |
| SCHEMBL30345614 | 0.73 | THRB (0.52) | PDK2P2RX1P2RX3P2RX4P2RX7 | |
| SCHEMBL7315657 | 0.73 | PDK2 (0.51) | PDK2ALDH1A1KMT2A |
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 |