Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.49 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.39 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.39 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.39 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.39 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | 0.85 | CNR2 (0.37) | PARP1NTRK1RAB9A | |
| SCHEMBL29085166 | 0.84 | SCN9A (0.37) | PARP1RAB9A | |
| SCHEMBL29085254 | 0.83 | GPR6 (0.42) | PARP1RAB9A | |
| SCHEMBL29085193 | 0.79 | MAPT (0.54) | PARP1PRKAA2USP30 | |
| SCHEMBL29085192 | 0.79 | MAPT (0.54) | PARP1PRKAA2USP30 | |
| SCHEMBL30604698 | 0.79 | MAPT (0.54) | PARP1PRKAA2USP30 | |
| SCHEMBL29085218 | 0.79 | MAPT (0.54) | PARP1PRKAA2USP30 | |
| SCHEMBL30604692 | 0.79 | MAPT (0.54) | PARP1PRKAA2USP30 | |
| SCHEMBL30064980 | 0.78 | PARP1 (0.54) | PARP1PRKAA2PRKAB2PRKAG1PRKAA1 | |
| SCHEMBL30604689 | 0.77 | PARP1 (0.56) | PARP1PRKAA2 |
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 |