Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 4/20 | 0.33 |
| ▸ | DRD3 | P35462 | 4/20 | 0.33 |
| ▸ | FPR3 | P25089 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9498338 | 1.00 | PKM (0.38) | PKMPDK1PDK2PDK3PDK4 | |
| SCHEMBL25068274 | 0.87 | PKM (0.47) | PKMPDK1PDK2PDK3PDK4 | |
| SCHEMBL14654944 | 0.79 | EPHX1 (0.50) | PKMPDK1PDK2PDK3PDK4 | |
| SCHEMBL19502933 | 0.79 | SMYD3 (0.44) | PKMPDK1PDK2PDK3PDK4 | |
| SCHEMBL9498299 | 0.79 | EPHX2 (0.54) | PKMPDK1PDK2PDK3PDK4 | |
| SCHEMBL14654898 | 0.79 | EPHX1 (0.50) | PKMPDK1PDK2PDK3PDK4 | |
| SCHEMBL14840943 | 0.78 | PKM (0.48) | PKMPDK1PDK2PDK3PDK4 | |
| SCHEMBL14840942 | 0.78 | PKM (0.48) | PKMPDK1PDK2PDK3PDK4 | |
| SCHEMBL14243258 | 0.77 | PDK1 (0.59) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL9499613 | 0.76 | DRD2 (0.31) | PKMPDK1PDK2PDK3PDK4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |