Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ASPH | Q12797 | 2/20 | 0.39 |
| ▸ | KDM8 | Q8N371 | 2/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 2/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8466122 | 0.88 | CES2 (0.50) | KEAP1CES2CES1HCAR1KDM4E | |
| SCHEMBL21750061 | 0.84 | KEAP1 (0.57) | KEAP1CES2CES1HCAR1KDM4E | |
| SCHEMBL21932841 | 0.84 | KEAP1 (0.42) | KEAP1CES2CES1HCAR1KDM4E | |
| SCHEMBL6114299 | 0.79 | KDM4E (0.48) | KEAP1CES2CES1KDM4EASPH | |
| SCHEMBL21749958 | 0.78 | CA1 (0.49) | KEAP1KDM4ECYP1A2LMNATSHR | |
| SCHEMBL17651538 | 0.77 | KEAP1 (0.59) | KEAP1CES2CES1HCAR1KDM4E | |
| SCHEMBL34472589 | 0.77 | KEAP1 (0.48) | KEAP1CES2CES1HCAR1KDM4E | |
| SCHEMBL27469197 | 0.77 | KDM4E (0.48) | KEAP1CES2CES1HCAR1KDM4E | |
| SCHEMBL23503 | 0.76 | CA12 (0.48) | HCAR1KDM4EALDH1A1ALOX15CYP1A2 | |
| SCHEMBL288979 | 0.76 | CES2 (0.46) | KEAP1CES2CES1HCAR1KDM4E |
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-110028439-B | Phthalimide derivative and preparation method and application thereof | 四川大学 | 2020-11-13 | — | — | CN | disclosed |
| CN-110028439-A | Phthalimide analog derivative and its preparation method and application | 四川大学 | 2019-07-19 | — | — | CN | disclosed |