Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.64 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.64 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.64 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.64 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13711475 | 0.88 | PDK1 (0.64) | PDK1PDK2PDK3PDK4HTR2A | |
| SCHEMBL17368396 | 0.87 | PDK1 (0.62) | PDK1PDK2PDK3PDK4HTR2A | |
| SCHEMBL6124252 | 0.86 | PDK1 (0.61) | PDK1PDK2PDK3PDK4HTR2A | |
| SCHEMBL22397647 | 0.84 | KDM4E (0.51) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL24511819 | 0.83 | PDK1 (0.59) | PDK1PDK2PDK3PDK4HTR2A | |
| SCHEMBL22482270 | 0.81 | PDK1 (0.57) | PDK1PDK2PDK3PDK4HTR2A | |
| SCHEMBL4026091 | 0.80 | KDM4E (0.71) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL28700900 | 0.79 | NOTUM (0.49) | PDK1PDK2PDK3PDK4HTR2A | |
| SCHEMBL28936707 | 0.79 | NOTUM (0.49) | PDK1PDK2PDK3PDK4HTR2A | |
| SCHEMBL6626359 | 0.79 | NOTUM (0.49) | PDK1PDK2PDK3PDK4HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-111670034-A | Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases | 洛克菲勒大学 | 2020-09-15 | — | — | CN | disclosed |