Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ATP4A | P20648 | 2/20 | 0.42 |
| ▸ | ATP4B | P51164 | 2/20 | 0.42 |
| ▸ | CD44 | P16070 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HEXA | P06865 | 1/20 | 0.34 |
| ▸ | HEXB | P07686 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6344760 | 0.87 | CD44 (0.52) | CYP3A4TDP1ATP4AATP4BCD44 | |
| SCHEMBL30417664 | 0.87 | CD44 (0.52) | CYP3A4TDP1ATP4AATP4BCD44 | |
| Ethylene SCHEMBL27537107 | 0.83 | CD44 (0.48) | CYP3A4TDP1ATP4AATP4BCD44 | |
| SCHEMBL659716 | 0.78 | NOS3 (0.38) | CYP3A4TDP1NOS3NOS2ALDH1A1 | |
| SCHEMBL9638017 | 0.75 | CYP3A4 (0.42) | CYP3A4TDP1ATP4AATP4BCD44 | |
| SCHEMBL165995 | 0.74 | GABRA1 (0.46) | CYP3A4TDP1CD44ALDH1A1TSHR | |
| SCHEMBL28136844 | 0.73 | CD44 (0.36) | CYP3A4TDP1ATP4AATP4BCD44 | |
| SCHEMBL434493 | 0.73 | CYP3A4 (0.48) | CYP3A4TDP1CD44NOS3NOS2 | |
| SCHEMBL49378 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL7468688 | 0.72 | GABRA1 (0.44) | CYP3A4TDP1CD44ALDH1A1TSHR |
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-104231659-A | Red thiazole heterocyclic disperse dye compound containing benzoate group and preparation and application thereof | YU XINGYING | 2014-12-24 | — | — | CN | disclosed |