Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 3/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 2/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28414389 | 0.80 | BCHE (0.48) | BCHEABCG2ABCB1KDRMIF | |
| SCHEMBL28413622 | 0.80 | BCHE (0.71) | BCHEABCG2HSP90AA1ABCB1KDR | |
| SCHEMBL28415505 | 0.80 | FLT3 (0.56) | BCHEABCG2ABCB1KDRMIF | |
| SCHEMBL28410360 | 0.78 | KDR (0.70) | KDRMAPTFLT3GSK3B | |
| SCHEMBL28410361 | 0.78 | KDR (0.70) | KDRMAPTFLT3GSK3B | |
| SCHEMBL4549459 | 0.76 | P2RX7 (0.58) | BCHEKDRPTGS2CA1CA2 | |
| SCHEMBL28411507 | 0.76 | CA1 (0.48) | KDRPTGS2CA1CA2CA5A | |
| SCHEMBL28414073 | 0.75 | GRM5 (0.58) | KDRCA1CA2CA12CA9 | |
| SCHEMBL29657622 | 0.75 | GRM5 (0.58) | KDRCA1CA2CA12CA9 | |
| SCHEMBL28335289 | 0.74 | CA2 (0.61) | BCHEKDRMIFPTGS2CA1 |
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 |