Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28526969 | 0.82 | CES2 (0.46) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL19900296 | 0.79 | SMYD3 (0.44) | CYP3A4 | |
| SCHEMBL28396264 | 0.79 | L3MBTL1 (0.41) | CES2CES1MEN1PKMKMT2A | |
| SCHEMBL28766354 | 0.78 | GABRA1 (0.35) | CES2CES1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL19900496 | 0.78 | ALOX15 (0.55) | SMN1; SMN2HPGDALDH1A1MEN1CYP3A4 | |
| SCHEMBL14394377 | 0.77 | CES2 (0.63) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL13449660 | 0.77 | CES1 (0.44) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| Benzene SCHEMBL27863753 | 0.77 | CES1 (0.44) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL16309346 | 0.76 | CES2 (0.67) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL27818043 | 0.75 | CES1 (0.42) | CES2CES1SMN1; SMN2KDM4EHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111269235-A | Cyclopyrazolone derivative and preparation method thereof | 安徽师范大学 | 2020-06-12 | — | — | CN | claimed |
| CN-111875544-B | Synthesis method of N-substituted hydantoin compound | 五邑大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-111875544-A | Synthesis method of N-substituted hydantoin compound | 五邑大学 | 2020-11-03 | — | — | CN | disclosed |
| CN-111269235-A | Cyclopyrazolone derivative and preparation method thereof | 安徽师范大学 | 2020-06-12 | — | — | CN | disclosed |