Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3137555 | 1.00 | NPSR1 (0.53) | NPSR1PARP1KEAP1NFE2L2CYP1A2 | |
| SCHEMBL6129578 | 0.89 | PARP1 (0.59) | NPSR1PARP1KEAP1NFE2L2CYP1A2 | |
| SCHEMBL30566287 | 0.89 | PARP1 (0.59) | NPSR1PARP1KEAP1NFE2L2CYP1A2 | |
| SCHEMBL17537941 | 0.83 | HDAC3 (0.59) | PARP1KEAP1NFE2L2CYP1A2FFAR1 | |
| SCHEMBL27741466 | 0.81 | TDP1 (0.56) | CYP1A2KDM4ESMN1; SMN2 | |
| SCHEMBL17537567 | 0.81 | TDP1 (0.56) | PARP1KEAP1NFE2L2SLC22A12FFAR1 | |
| SCHEMBL21333890 | 0.81 | CCNC (0.44) | NPSR1PARP1KEAP1NFE2L2KDM4E | |
| SCHEMBL5696745 | 0.81 | PARP1 (0.69) | NPSR1PARP1KEAP1NFE2L2KDM4E | |
| SCHEMBL17537942 | 0.80 | MAPT (0.56) | PARP1KEAP1CYP1A2FFAR1HDAC3 | |
| SCHEMBL17537572 | 0.79 | HDAC3 (0.63) | PARP1KEAP1CYP1A2FFAR1HDAC3 |
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-114249754-B | Molecular oxygen delivery agent based on internal peroxide structure and application | 大连理工大学 | 2022-11-25 | — | — | CN | disclosed |
| CN-114249754-A | Molecular oxygen delivery agent based on internal peroxide structure and application | 大连理工大学 | 2022-03-29 | — | — | CN | disclosed |