Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.63 |
| ▸ | CA1 | P00915 | 3/20 | 0.63 |
| ▸ | CA2 | P00918 | 3/20 | 0.63 |
| ▸ | CA5A | P35218 | 3/20 | 0.63 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.63 |
| ▸ | FLT3 | P36888 | 3/20 | 0.56 |
| ▸ | KDR | P35968 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16220811 | 0.87 | PTGS2 (0.72) | PTGS2CA1CA2CA5ACA5B | |
| SCHEMBL28418132 | 0.85 | PTGS2 (0.64) | PTGS2CA1CA2CA5ACA5B | |
| SCHEMBL1230837 | 0.85 | FLT3 (0.64) | PTGS2CA1CA2CA5ACA5B | |
| SCHEMBL28335289 | 0.85 | CA2 (0.61) | PTGS2CA1CA2CA5ACA5B | |
| SCHEMBL4549459 | 0.85 | P2RX7 (0.58) | PTGS2CA1CA2CA5ACA5B | |
| SCHEMBL28418357 | 0.83 | STS (0.62) | PTGS2CA1CA2CA5ACA5B | |
| SCHEMBL29657629 | 0.83 | STS (0.62) | PTGS2CA1CA2CA5ACA5B | |
| SCHEMBL28411507 | 0.82 | CA1 (0.48) | PTGS2CA1CA2CA5ACA5B | |
| SCHEMBL18031100 | 0.80 | PTGS2 (0.63) | PTGS2CA1CA2CA5ACA5B | |
| SCHEMBL23557718 | 0.80 | PTGS2 (0.63) | PTGS2CA1CA2CA5ACA5B |
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-111153889-B | 2-indolone-triazole anti-tumor compound and preparation method and application thereof | 中国医科大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-111153889-A | 2-indolone-triazole anti-tumor compound and preparation method and application thereof | 中国医科大学 | 2020-05-15 | — | — | CN | disclosed |