Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 14/20 | 0.51 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | S100A4 | P26447 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP8 | P22894 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871391 | 1.00 | PDK2 (0.51) | PDK2APEX1S100A4NPC1MAPT | |
| SCHEMBL16550638 | 0.95 | PDK2 (0.53) | PDK2APEX1S100A4NPC1MAPT | |
| SCHEMBL27837668 | 0.93 | MAPT (0.44) | PDK2S100A4NPC1MAPTRAB9A | |
| SCHEMBL14768863 | 0.91 | PDK2 (0.45) | PDK2APEX1MMP2MMP9MMP8 | |
| SCHEMBL25070269 | 0.90 | APEX1 (0.47) | PDK2APEX1 | |
| SCHEMBL4821046 | 0.90 | APEX1 (0.47) | PDK2APEX1 | |
| SCHEMBL17084359 | 0.89 | PDK2 (0.56) | PDK2APEX1S100A4NPC1MAPT | |
| SCHEMBL4822886 | 0.88 | PDK2 (0.43) | PDK2APEX1MMP2MMP9MMP8 | |
| SCHEMBL3557701 | 0.88 | THRA (0.47) | PDK2APEX1MMP2MMP9MMP8 | |
| SCHEMBL15159198 | 0.86 | PDK2 (0.42) | PDK2APEX1MMP2MMP9MMP8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101531684-B | Monomer for organic electrophosphorescent polymer | XIAN MODERN CHEMISTRY RES INST | 2011-11-16 | — | — | CN | disclosed |
| CN-101337875-B | Beta-dione compounds with terminal vinyl group | XIAN MODERN CHEMISTRY RES INST | 2011-05-25 | — | — | CN | disclosed |
| CN-101531684-A | Monomer for organic electrophosphorescent polymer | XIAN MODERN CHEMISTRY RES INST | 2009-09-16 | — | — | CN | disclosed |
| CN-101337875-A | Beta-dione compounds with terminal vinyl group | XIAN MODERN CHEMISTRY RES INST (CN) | 2009-01-07 | — | — | CN | disclosed |