Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28210679 | 0.85 | MKNK1 (0.49) | NR4A2PDK2PDCD1CD274KCNA5 | |
| SCHEMBL18611239 | 0.83 | ABL1 (0.40) | PDK2ABL1ADORA2AADORA1ATM | |
| SCHEMBL27703205 | 0.82 | ATM (0.45) | PDK2PDCD1CD274ATMKCNN4 | |
| SCHEMBL12526321 | 0.80 | NR4A2 (0.48) | NR4A2LRRK2PDCD1CD274PTPN5 | |
| SCHEMBL30790364 | 0.80 | PDCD1 (0.60) | NR4A2PDK2PDCD1CD274PTPN5 | |
| SCHEMBL9548114 | 0.80 | PDCD1 (0.60) | NR4A2PDK2PDCD1CD274PTPN5 | |
| SCHEMBL19923153 | 0.79 | PDCD1 (0.47) | NR4A2LRRK2PDK2PDCD1CD274 | |
| SCHEMBL13824010 | 0.78 | NR4A2 (0.48) | NR4A2LRRK2PDK2ABL1PDCD1 | |
| SCHEMBL12525403 | 0.76 | SCN9A (0.42) | NR4A2LRRK2PDCD1CD274KCNA5 | |
| SCHEMBL12526579 | 0.76 | KCNH2 (0.42) | NR4A2LRRK2PDCD1CD274 |
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-107922379-A | Substituted guanidine derivatives | 宇部兴产株式会社 | 2018-04-17 | — | — | CN | disclosed |