Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.46 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.46 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 3/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28521021 | 1.00 | ITGB1 (0.46) | ITGB1ITGA4GPBAR1CYSLTR2CYSLTR1 | |
| SCHEMBL28905581 | 0.89 | DHFR (0.56) | GPBAR1CYSLTR2CYSLTR1TLR8DHFR | |
| SCHEMBL28905528 | 0.89 | DHFR (0.56) | GPBAR1CYSLTR2CYSLTR1TLR8DHFR | |
| SCHEMBL28906704 | 0.84 | TLR8 (0.46) | TLR8LTA4HDHFRPLA2G2A | |
| SCHEMBL28960353 | 0.81 | TLR8 (0.51) | GPBAR1TLR8CYP1A2CYP3A4GAA | |
| SCHEMBL29532124 | 0.81 | NCF1 (0.53) | LTA4HCYP1A2CYP2D6MAPTHPGD | |
| SCHEMBL28512654 | 0.81 | PLA2G2A (0.60) | TLR8MAPTHPGDSMN1; SMN2PLA2G2A | |
| SCHEMBL28514142 | 0.80 | LMNA (0.52) | ITGB1ITGA4TLR8LTA4HPKM | |
| SCHEMBL28503565 | 0.80 | LMNA (0.52) | ITGB1ITGA4TLR8LTA4HPKM | |
| SCHEMBL28203119 | 0.78 | NCF1 (0.53) | CYP1A2GAAMAPTHPGDSMN1; SMN2 |
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-108250142-B | Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity | 维尔斯达医疗公司 | 2021-01-26 | — | — | CN | disclosed |