Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 6/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6118449 | 0.81 | SMYD3 (0.31) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL12466313 | 0.81 | SMYD3 (0.31) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL7123522 | 0.79 | KDM4E (0.45) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL15114086 | 0.79 | KDM4E (0.40) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL15114114 | 0.77 | PDK1 (0.37) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL18177820 | 0.74 | KDM4E (0.43) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL11053891 | 0.74 | KDM4E (0.43) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL1356297 | 0.74 | KDM4E (0.43) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL15114084 | 0.73 | PDK1 (0.40) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL5504355 | 0.73 | PDK1 (0.40) | PDK1PDK2PDK3PDK4KDM4E |
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-2016087975-A1 | CD38 INHIBITORS AND METHODS OF TREATMENT | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-06-09 | — | — | WO | disclosed |