Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 7/20 | 0.43 |
| ▸ | PLAT | P00750 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.39 |
| ▸ | USP25 | Q9UHP3 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29085170 | 1.00 | SCN9A (0.43) | SCN9APLATPTGESPARP1BTK | |
| SCHEMBL29085174 | 1.00 | SCN9A (0.43) | SCN9APLATPTGESPARP1BTK | |
| SCHEMBL30064539 | 0.94 | SCN9A (0.42) | SCN9APLATPTGESPARP1HPGDS | |
| SCHEMBL25235207 | 0.88 | PARP1 (0.45) | PARP1HPGDSUSP28USP25 | |
| SCHEMBL30273150 | 0.88 | PARP1 (0.45) | PARP1HPGDSUSP28USP25 | |
| SCHEMBL29085203 | 0.87 | SCN9A (0.43) | SCN9APLATPARP1HPGDSUSP28 | |
| SCHEMBL29085207 | 0.87 | SCN9A (0.43) | SCN9APLATPARP1HPGDSUSP28 | |
| Hydrochloric Acid SCHEMBL31552839 | 0.87 | PARP1 (0.44) | PARP1HPGDSUSP28USP25 | |
| Hydrochloric Acid SCHEMBL31552827 | 0.86 | PARP1 (0.44) | SCN9APLATPARP1HPGDSCNR2 | |
| Trifluoroacetic Acid SCHEMBL27202992 | 0.85 | BACE1 (0.46) | SCN9APARP1HPGDSUSP28USP25 |
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 |