Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 3/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 2/20 | 0.31 |
| ▸ | JAK1 | P23458 | 2/20 | 0.31 |
| ▸ | TYK2 | P29597 | 2/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15740601 | 0.83 | TDO2 (0.36) | TDO2CYP11B2HRH2HRH3BACE1 | |
| SCHEMBL30385681 | 0.81 | TDO2 (0.34) | TDO2CYP11B2HRH2HRH3BACE1 | |
| SCHEMBL15740688 | 0.81 | TDO2 (0.34) | TDO2CYP11B2HRH2HRH3BACE1 | |
| SCHEMBL15740579 | 0.77 | NCF1 (0.32) | TDO2NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL27722066 | 0.73 | TDO2 (0.35) | TDO2CYP11B2HRH2HRH3BACE1 | |
| SCHEMBL927943 | 0.72 | NCF1 (0.34) | HRH3SMN1; SMN2LMNAOPRL1 | |
| SCHEMBL29012931 | 0.72 | FFAR2 (0.44) | TDO2HRH2HRH3NPC1RAB9A | |
| SCHEMBL30154966 | 0.72 | NOS2 (0.52) | LMNAOPRL1 | |
| SCHEMBL1971040 | 0.72 | NOS2 (0.52) | LMNAOPRL1 | |
| SCHEMBL2355700 | 0.71 | CYP11B2 (0.40) | TDO2CYP11B2HRH2HRH3JAK2 |
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-102137856-A | 2, 4' -bipyridine compounds as protein kinase D inhibitors useful for the treatment of IA heart failure and cancer | NOVARTIS AG | 2011-07-27 | — | — | CN | disclosed |