Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 7/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 11/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7313758 | 0.87 | THRB (0.43) | PDK2PTGS2 | |
| SCHEMBL7316444 | 0.81 | PDK2 (0.47) | PDK2PTGS2 | |
| SCHEMBL27619850 | 0.79 | PDK2 (0.47) | PDK2 | |
| SCHEMBL7316321 | 0.74 | THRB (0.39) | PDK2 | |
| SCHEMBL7316883 | 0.72 | OPRM1 (0.41) | PDK2 | |
| SCHEMBL7313184 | 0.71 | PDK2 (0.49) | PDK2 | |
| SCHEMBL7316576 | 0.69 | CYP2D6 (0.41) | PDK2 | |
| SCHEMBL7316356 | 0.67 | PDK2 (0.40) | PDK2 | |
| SCHEMBL7314142 | 0.66 | PDK2 (0.40) | PDK2PTGS2 | |
| SCHEMBL27619855 | 0.65 | KDM4E (0.41) | PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001009117-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELLIX NEUROSCIENCE INC. (US) | 2001-02-08 | — | — | WO | disclosed |
| US-6162824-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | ALLELIX NEUROSCIENCE INC. | 2000-12-19 | — | — | US | disclosed |