Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 12/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29488643 | 0.89 | PTGS2 (0.38) | PTGDR2POLBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29488656 | 0.82 | PTGDR2 (0.53) | PTGDR2TP53CYP1A2CYP3A4CYP2C8 | |
| SCHEMBL29488647 | 0.81 | THRA (0.32) | PTGDR2 | |
| SCHEMBL29488651 | 0.77 | DPP4 (0.37) | — | |
| SCHEMBL24822266 | 0.75 | PTGS2 (0.40) | BRD9TP53POLBCYP1A2CYP3A4 | |
| SCHEMBL29488655 | 0.75 | GAA (0.43) | MEN1KMT2AMAPT | |
| SCHEMBL29488652 | 0.75 | DPP4 (0.36) | CYP3A4CYP2D6 | |
| SCHEMBL29488649 | 0.72 | MAPT (0.40) | PTGDR2POLBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29488644 | 0.70 | KMT2A (0.47) | POLBCYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL29488638 | 0.70 | NPBWR1 (0.39) | MEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022068915-A1 | 6-OXO-1,6-DIHYDROPYRIDAZIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2022-04-07 | — | — | WO | disclosed |