Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.68 |
| ▸ | TNFRSF1A | P19438 | 4/20 | 0.67 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.63 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.62 |
| ▸ | TUBB | P07437 | 3/20 | 0.62 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.62 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.62 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.62 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.62 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.62 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.62 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.62 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.62 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.62 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 0.62 |
| ▸ | TUBB6 | Q9BUF5 | 3/20 | 0.62 |
| ▸ | TUBB2B | Q9BVA1 | 3/20 | 0.62 |
| ▸ | KRAS | P01116 | 4/20 | 0.61 |
| ▸ | CA1 | P00915 | 3/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL31059018 | 0.90 | ABCG2 (0.67) | ABCG2TNFRSF1ATUBB1ABCB1TUBB4A | |
| SCHEMBL14820484 | 0.89 | ABCG2 (0.84) | ABCG2TNFRSF1ATUBB1ABCB1TUBB4A | |
| SCHEMBL14800858 | 0.89 | ABCG2 (0.84) | ABCG2TNFRSF1ATUBB1ABCB1TUBB4A | |
| SCHEMBL31059020 | 0.87 | ABCG2 (0.69) | ABCG2TNFRSF1ATUBB1ABCB1TUBB4A | |
| SCHEMBL31059031 | 0.85 | TUBB1 (0.80) | ABCG2TNFRSF1ATUBB1ABCB1TUBB4A | |
| SCHEMBL31059013 | 0.84 | ABCG2 (0.61) | ABCG2TNFRSF1ATUBB1ABCB1TUBB4A | |
| SCHEMBL31059029 | 0.84 | TUBB1 (0.80) | ABCG2TNFRSF1ATUBB1ABCB1TUBB4A | |
| SCHEMBL31059032 | 0.84 | CTSL (0.62) | ABCG2TNFRSF1ATUBB1ABCB1TUBB4A | |
| SCHEMBL31059027 | 0.82 | ABCB1 (0.67) | ABCG2TNFRSF1AABCB1CYP1A1CYP1A2 | |
| SCHEMBL5960638 | 0.81 | TNFRSF1A (1.00) | ABCG2TNFRSF1ATUBB1ABCB1TUBB4A |
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-118388357-A | Heteroatom-containing chalcone derivative and preparation method and application thereof | 广东省中医院（广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院） | 2024-07-26 | — | — | CN | disclosed |