Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 5/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.38 |
| ▸ | PARP6 | Q2NL67 | 2/20 | 0.37 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 3/20 | 0.36 |
| ▸ | USP28 | Q96RU2 | 3/20 | 0.36 |
| ▸ | USP25 | Q9UHP3 | 3/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29085237 | 0.86 | TYK2 (0.39) | ALDH1A1MAPTPARP1PARP2PARP6 | |
| SCHEMBL30064390 | 0.84 | SCN9A (0.43) | PARP1CNR2USP28USP25 | |
| SCHEMBL29085174 | 0.84 | SCN9A (0.43) | PARP1CNR2USP28USP25 | |
| SCHEMBL29085170 | 0.84 | SCN9A (0.43) | PARP1CNR2USP28USP25 | |
| SCHEMBL25235207 | 0.83 | PARP1 (0.45) | ALDH1A1PARP1USP28USP25CHEK1 | |
| SCHEMBL30273150 | 0.83 | PARP1 (0.45) | ALDH1A1PARP1USP28USP25CHEK1 | |
| Trifluoroacetic Acid SCHEMBL27202992 | 0.83 | BACE1 (0.46) | PARP1USP28USP25BACE1 | |
| Hydrochloric Acid SCHEMBL31552839 | 0.82 | PARP1 (0.44) | ALDH1A1PARP1USP28USP25CHEK1 | |
| SCHEMBL29085235 | 0.81 | BACE1 (0.46) | ALDH1A1MAPTBACE1 | |
| SCHEMBL22912735 | 0.80 | PARP1 (0.48) | PARP1PARP2PARP6PARP3USP28 |
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 |