Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 6/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KARS1 | Q15046 | 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 | |
|---|---|---|---|---|
| SCHEMBL29085247 | 0.90 | CNR2 (0.37) | SCN9ASCN7AKCNH2SCN5APARP1 | |
| SCHEMBL29085222 | 0.84 | PARP1 (0.49) | PARP1RAB9A | |
| SCHEMBL30427906 | 0.83 | PARP1 (0.40) | PARP1CNR2 | |
| SCHEMBL29085171 | 0.82 | USP30 (0.48) | RAB9ANAMPTNPC1 | |
| SCHEMBL29085254 | 0.80 | GPR6 (0.42) | PARP1RAB9AHPGDSKARS1 | |
| SCHEMBL29085252 | 0.79 | CCNA2 (0.45) | SCN9ACNR2 | |
| SCHEMBL30604687 | 0.79 | CCNA2 (0.45) | SCN9ACNR2 | |
| SCHEMBL29085165 | 0.79 | CCNA2 (0.45) | SCN9ACNR2 | |
| SCHEMBL30064390 | 0.78 | SCN9A (0.43) | SCN9ABTKSCN7AKCNH2SCN5A | |
| SCHEMBL29085174 | 0.78 | SCN9A (0.43) | SCN9ABTKSCN7AKCNH2SCN5A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116867783-A | Pyridine derivative and application thereof in medicine | 成都百裕制药股份有限公司 | 2023-10-10 | — | — | CN | disclosed |
| WO-2022222964-A1 | PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE | 成都百裕制药股份有限公司 | 2022-10-27 | — | — | WO | disclosed |