Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14508196 | 0.96 | PDK2 (0.49) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL14508167 | 0.91 | PDK2 (0.56) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL30772301 | 0.91 | PDK2 (0.61) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3392580 | 0.91 | PDK2 (0.61) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL14508194 | 0.90 | PDK2 (0.54) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL14508156 | 0.90 | PDK2 (0.54) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL14508152 | 0.90 | PDK2 (0.54) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL14508228 | 0.90 | PDK2 (0.57) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL14508223 | 0.90 | PDK2 (0.49) | PDK2TGFBR1KDM4ELMNACTSD | |
| SCHEMBL13388754 | 0.90 | PDK2 (0.59) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 |
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-2012081541-A1 | 1, 2, 4, 5-SUBSTITUTED PHENYL DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 (JP) | 2012-06-21 | — | — | WO | disclosed |