Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 3/20 | 0.49 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 3/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28680774 | 0.91 | NR4A2 (0.56) | NR4A2GPR52KDM4ELMNAMAPT | |
| SCHEMBL7809055 | 0.85 | NR4A2 (0.47) | NR4A2GPR52NPC1KMT2AKDM4E | |
| SCHEMBL657234 | 0.84 | TDP1 (0.55) | NPC1KMT2AKDM4EMEN1MAPT | |
| SCHEMBL20835784 | 0.83 | BCHE (0.47) | NR4A2GPR52NPC1KMT2AKDM4E | |
| SCHEMBL27622766 | 0.83 | LMNA (0.60) | NR4A2NPC1KMT2AKDM4EMEN1 | |
| SCHEMBL4888739 | 0.82 | GRM5 (0.54) | NR4A2NPC1KMT2AKDM4EMEN1 | |
| SCHEMBL2785216 | 0.81 | NR4A2 (0.70) | NR4A2KMT2AMEN1PTPN1MAOB | |
| SCHEMBL3165423 | 0.80 | CES2 (0.52) | NPC1KMT2AKDM4EMEN1LMNA | |
| SCHEMBL5307373 | 0.79 | TDP1 (0.57) | NR4A2GPR52NPC1KMT2AMEN1 | |
| SCHEMBL7612280 | 0.79 | LOXL2 (0.54) | NPC1KDM4ELMNAMAPTHPGD |
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-109020883-B | 3-cyano-2-aminopyridine derivative and preparation method and application thereof | 广西民族大学 | 2022-02-08 | — | — | CN | disclosed |