Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 7/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL29488641 | 0.89 | PTGDR2 (0.36) | CYP2C19CYP1A2PTGDR2CYP3A4CYP2D6 | |
| SCHEMBL29488656 | 0.80 | PTGDR2 (0.53) | ALDH1A1CYP2C19CYP1A2PTGDR2CYP3A4 | |
| SCHEMBL29488647 | 0.78 | THRA (0.32) | PTGDR2 | |
| SCHEMBL29488651 | 0.75 | DPP4 (0.37) | — | |
| SCHEMBL29488655 | 0.73 | GAA (0.43) | ALDH1A1LMNAKDM4EHSD17B10 | |
| SCHEMBL29488652 | 0.73 | DPP4 (0.36) | LMNACYP3A4CYP2D6 | |
| SCHEMBL10044415 | 0.71 | PTGS2 (0.48) | PTGS2ALDH1A1CYP2C19CYP1A2LMNA | |
| SCHEMBL29488649 | 0.70 | MAPT (0.40) | CYP2C19CYP1A2LMNAPTGDR2CYP2D6 | |
| SCHEMBL29488638 | 0.68 | NPBWR1 (0.39) | ALDH1A1KDM4E | |
| SCHEMBL29488644 | 0.68 | KMT2A (0.47) | CYP2C19CYP1A2CYP3A4HPGDPOLB |
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 |