Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19854892 | 0.79 | JAK2 (0.36) | CTSKJAK2JAK1BTKHDAC4 | |
| SCHEMBL22946698 | 0.77 | KCNA3 (0.39) | CTSKJAK2JAK1BTKKCNA3 | |
| SCHEMBL20617600 | 0.71 | BTK (0.48) | CTSKBTKKCNA3EPHX1DRD2 | |
| SCHEMBL21034802 | 0.69 | CTSK (0.36) | CTSKJAK2JAK1BTKKCNA3 | |
| SCHEMBL19853738 | 0.69 | CTSK (0.36) | CTSKJAK2JAK1BTKKCNA3 | |
| SCHEMBL3584177 | 0.67 | BTK (0.47) | CTSKJAK2JAK1BTKEPHX1 | |
| SCHEMBL13407396 | 0.67 | BTK (0.47) | CTSKJAK2JAK1BTKEPHX1 | |
| SCHEMBL14751434 | 0.67 | BTK (0.49) | CTSKJAK2JAK1BTKKCNA3 | |
| SCHEMBL24423246 | 0.67 | BTK (0.43) | CTSKBTKKCNA3EPHX1DRD2 | |
| SCHEMBL21041666 | 0.67 | BTK (0.43) | CTSKBTKKCNA3EPHX1DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018026763-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2018-02-08 | — | — | WO | disclosed |