Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2651405 | 1.00 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1KDM4EHSD17B10ADORA2A | |
| SCHEMBL2657204 | 0.83 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1KDM4EHSD17B10ADORA2A | |
| SCHEMBL2652226 | 0.83 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1KDM4EHSD17B10ADORA2A | |
| SCHEMBL30775679 | 0.77 | HSD17B10 (0.42) | HSP90AA1HSP90AB1KDM4EHSD17B10ADORA2A | |
| SCHEMBL2651105 | 0.74 | ADORA2A (0.35) | HSP90AA1HSP90AB1HSD17B10ADORA2AADORA1 | |
| SCHEMBL12707369 | 0.71 | HSD17B10 (0.34) | HSD17B10ADORA2AADORA1 | |
| SCHEMBL2044604 | 0.70 | — | — | |
| SCHEMBL10900625 | 0.70 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1KDM4EHSD17B10ADORA2A | |
| SCHEMBL12707361 | 0.69 | ADORA2A (0.32) | ADORA2AADORA1 | |
| SCHEMBL25422152 | 0.68 | ALDH1A1 (0.46) | KDM4EALDH1A1KMT2A |
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-117460718-A | Triazine derivatives and their use in the treatment of cancer | 豪夫迈·罗氏有限公司 | 2024-01-26 | — | — | CN | disclosed |