Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALPG | P10696 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28650137 | 0.85 | CA2 (0.42) | CA2CA12CA1CA9CYP3A4 | |
| SCHEMBL28664612 | 0.74 | CA12 (0.46) | CA12CA9PTGS2TRPA1 | |
| SCHEMBL29757278 | 0.71 | KDM4E (0.36) | TRPA1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4692586 | 0.69 | CA2 (0.44) | CA2CA12CA1CA9PTGS1 | |
| SCHEMBL6126327 | 0.68 | DYRK1A (0.42) | MAPTMEN1KMT2AKDM4E | |
| Oxalic Acid SCHEMBL10499933 | 0.68 | MEN1 (0.32) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6118600 | 0.67 | — | — | |
| SCHEMBL29442716 | 0.66 | CHEK1 (0.41) | CYP3A4GAAMAPTLMNATDP1 | |
| SCHEMBL16053133 | 0.64 | KDM4E (0.35) | KDM4EALDH1A1HPGDENPP2 | |
| SCHEMBL28656520 | 0.63 | CA12 (0.36) | CA12CA9 |
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-113508118-A | Fused tricyclic compounds useful as anticancer agents | 阿斯利康(瑞典)有限公司 | 2021-10-15 | — | — | CN | disclosed |