Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPG | P10696 | 2/20 | 0.39 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL11033149 | 0.93 | PLA2G2A (0.41) | AGTR1AGTR2PLA2G2AALDH1A1HPGD | |
| SCHEMBL31484752 | 0.84 | AGTR1 (0.43) | AGTR1AGTR2ALDH1A1HPGDKDM5A | |
| SCHEMBL217674 | 0.84 | AGTR1 (0.43) | AGTR1AGTR2ALDH1A1HPGDKDM5A | |
| SCHEMBL27839823 | 0.84 | AGTR1 (0.43) | AGTR1AGTR2ALDH1A1HPGDKDM5A | |
| SCHEMBL346574 | 0.84 | AGTR1 (0.43) | AGTR1AGTR2ALDH1A1HPGDKDM5A | |
| SCHEMBL83434 | 0.83 | TLR8 (0.43) | AGTR1AGTR2ALDH1A1 | |
| SCHEMBL27857586 | 0.83 | TLR8 (0.43) | AGTR1AGTR2ALDH1A1 | |
| SCHEMBL9231229 | 0.83 | TLR8 (0.43) | AGTR1AGTR2ALDH1A1 | |
| SCHEMBL10824697 | 0.82 | TLR8 (0.44) | AGTR1AGTR2ALDH1A1 | |
| Benzoic Acid SCHEMBL27844199 | 0.74 | AGTR1 (0.51) | AGTR1AGTR2ALDH1A1MAPT |
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-113861016-B | Cyanoethyl alkyl imidazole gallate ionic liquid and preparation method and application thereof | 昆明理工大学 | 2022-10-28 | — | — | CN | disclosed |
| CN-113861016-A | Cyanoethyl alkyl imidazole gallate ionic liquid and preparation method and application thereof | 昆明理工大学 | 2021-12-31 | — | — | CN | disclosed |