Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | IDE | P14735 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29192477 | 0.80 | G6PD (0.45) | CCNCCDK8PTGS2NQO2MTNR1A | |
| SCHEMBL17437243 | 0.80 | LMNA (0.42) | CCNCCDK8PTGS2ROCK2ROCK1 | |
| SCHEMBL30032674 | 0.80 | G6PD (0.45) | CCNCCDK8PTGS2NQO2MTNR1A | |
| SCHEMBL29923537 | 0.73 | CYP1A2 (0.41) | RAB9A | |
| SCHEMBL17981072 | 0.73 | CYP1A2 (0.41) | RAB9A | |
| SCHEMBL29192439 | 0.72 | CDK5 (0.39) | CCNCCDK8NQO2MTNR1AMTNR1B | |
| SCHEMBL3950620 | 0.72 | PTGS2 (0.43) | PTGS2NQO2MTNR1AMTNR1BAKR1C3 | |
| SCHEMBL18105506 | 0.71 | EGFR (0.46) | KDR | |
| SCHEMBL30797366 | 0.70 | IMPDH2 (0.45) | PTGS2CDK5AKR1C3AKR1C2SCD | |
| SCHEMBL12567839 | 0.70 | PIK3CD (0.45) | PTGS2AKR1C3AKR1C2SCD |
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-117651699-A | Compounds and compositions for the treatment of coronavirus related diseases | 诺华股份有限公司 | 2024-03-05 | — | — | CN | disclosed |
| WO-2022224223-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES | NOVARTIS AG (CH) | 2022-10-27 | — | — | WO | disclosed |