Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | SSTR4 | P31391 | 11/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | SSTR1 | P30872 | 5/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15906245 | 0.85 | EPHX1 (0.47) | PDK1PDK2PDK3PDK4SSTR4 | |
| SCHEMBL5839921 | 0.85 | PDK1 (0.42) | PDK1PDK2PDK3PDK4SSTR4 | |
| SCHEMBL620243 | 0.85 | PDK1 (0.58) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5748409 | 0.82 | SMYD3 (0.43) | PDK1PDK2PDK3PDK4SSTR4 | |
| SCHEMBL14652109 | 0.81 | PKM (0.40) | PDK1PDK2PDK3PDK4SSTR4 | |
| SCHEMBL5749335 | 0.80 | BTK (0.48) | EPHX1 | |
| SCHEMBL9329969 | 0.79 | SSTR4 (0.57) | SSTR4SSTR1 | |
| SCHEMBL27394564 | 0.79 | EPHX2 (0.44) | PDK1PDK2PDK3PDK4SSTR4 | |
| Hydrochloric Acid SCHEMBL5746676 | 0.78 | BTK (0.47) | EPHX1 | |
| SCHEMBL14654933 | 0.77 | L3MBTL1 (0.37) | PDK1PDK2PDK3PDK4SSTR4 |
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-2005009966-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LIMITED (GB) | 2005-02-03 | — | — | WO | disclosed |