Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 5/20 | 0.47 |
| ▸ | ABL1 | P00519 | 2/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | BCR | P11274 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | ACACA | Q13085 | 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 | |
|---|---|---|---|---|
| SCHEMBL7313758 | 0.84 | THRB (0.43) | PDK2HDAC4HDAC2HDAC8PTGS2 | |
| SCHEMBL7319520 | 0.81 | PDK2 (0.44) | PDK2PTGS2 | |
| SCHEMBL27619850 | 0.75 | PDK2 (0.47) | PDK2MEN1KMT2AMAPT | |
| SCHEMBL7315127 | 0.74 | PDK2 (0.51) | PDK2ABL1ABCB1BCRHDAC4 | |
| SCHEMBL7322385 | 0.73 | HDAC4 (0.37) | PDK2HDAC4HDAC2HDAC8PTGS2 | |
| SCHEMBL7322395 | 0.73 | HDAC4 (0.37) | PDK2HDAC4HDAC2HDAC8PTGS2 | |
| SCHEMBL7316883 | 0.72 | OPRM1 (0.41) | PDK2GAAPOLBMEN1KMT2A | |
| SCHEMBL7316321 | 0.71 | THRB (0.39) | PDK2MEN1KMT2ALMNAMAPT | |
| SCHEMBL7316576 | 0.69 | CYP2D6 (0.41) | PDK2KMT2AMAPT | |
| SCHEMBL12715050 | 0.69 | ABL1 (0.79) | ABL1ABCB1BCRHDAC4HDAC2 |
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 |