Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | XPO1 | O14980 | 5/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | MPL | P40238 | 4/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9938916 | 1.00 | KEAP1 (0.44) | KEAP1NFE2L2CYP11B2CYP11B1XPO1 | |
| SCHEMBL10853416 | 0.85 | PIK3CD (0.40) | CYP11B2CYP11B1XPO1PIK3CDMPL | |
| SCHEMBL7906403 | 0.82 | KEAP1 (0.44) | KEAP1NFE2L2CYP11B2CYP11B1 | |
| SCHEMBL9967096 | 0.81 | PIK3CD (0.37) | CYP11B2CYP11B1XPO1PIK3CDADRB2 | |
| SCHEMBL27268060 | 0.81 | CYP11B1 (0.35) | CYP11B2CYP11B1XPO1PIK3CDMPL | |
| SCHEMBL9967097 | 0.81 | KHK (0.50) | CYP11B2CYP11B1XPO1PIK3CDMPL | |
| SCHEMBL29687228 | 0.79 | PIK3CD (0.37) | CYP11B2CYP11B1XPO1PIK3CDADRB2 | |
| SCHEMBL675996 | 0.79 | PIK3CD (0.37) | CYP11B2CYP11B1XPO1PIK3CDADRB2 | |
| SCHEMBL29260193 | 0.77 | KEAP1 (0.56) | KEAP1NFE2L2 | |
| SCHEMBL21670482 | 0.76 | NOTUM (0.35) | CYP11B2CYP11B1XPO1PIK3CDADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106661036-B | Pyrrolopyrimidines for use in influenza virus infection | 爱尔兰詹森科学公司 | 2022-03-15 | — | — | CN | disclosed |