Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 4/20 | 0.67 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.67 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.67 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.66 |
| ▸ | KRAS | P01116 | 4/20 | 0.64 |
| ▸ | CA1 | P00915 | 3/20 | 0.64 |
| ▸ | CA2 | P00918 | 3/20 | 0.64 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | HTR1A | P08908 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | HTR2C | P28335 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL14800858 | 0.88 | ABCG2 (0.84) | TNFRSF1AABCG2CYP1A1CYP1A2CYP2C8 | |
| SCHEMBL14820484 | 0.88 | ABCG2 (0.84) | TNFRSF1AABCG2CYP1A1CYP1A2CYP2C8 | |
| SCHEMBL29827286 | 0.84 | ABCG2 (0.74) | TNFRSF1AABCG2CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL28984299 | 0.84 | ABCG2 (0.74) | TNFRSF1AABCG2CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL11796150 | 0.82 | ABCB1 (0.83) | TNFRSF1AABCG2CYP1A1CYP1A2CYP2C8 | |
| SCHEMBL11796142 | 0.82 | ABCB1 (0.83) | TNFRSF1AABCG2CYP1A1CYP1A2CYP2C8 | |
| SCHEMBL5960638 | 0.80 | TNFRSF1A (1.00) | TNFRSF1AABCG2CYP1A1CYP1A2CYP2C8 | |
| SCHEMBL17232019 | 0.80 | CYP1A1 (1.00) | ABCG2CYP1A1CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL5960636 | 0.80 | TNFRSF1A (1.00) | TNFRSF1AABCG2CYP1A1CYP1A2CYP2C8 | |
| SCHEMBL28984326 | 0.80 | TUBB1 (0.72) | ABCG2CYP1A1CYP1A2CYP1B1TUBB1 |
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-109535068-B | Pyridine substituted chalcone compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2022-07-29 | — | — | CN | disclosed |