Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL22712518 | 1.00 | EGFR (0.43) | EGFRHIF1ADGAT1KDM4ECA1 | |
| SCHEMBL29276144 | 0.88 | LIPE (0.36) | EGFRKDM4EALDH1A1HTTCYP2C19 | |
| SCHEMBL26601625 | 0.88 | MAPT (0.37) | EGFRHIF1ADGAT1KDM4EALDH1A1 | |
| SCHEMBL12118481 | 0.84 | EGFR (0.36) | EGFRHIF1ACA1CA2CA9 | |
| SCHEMBL19087000 | 0.82 | CSF1R (0.34) | EGFRHIF1AALDH1A1CYP2C19MAPT | |
| SCHEMBL28544224 | 0.81 | CA1 (0.31) | EGFRHIF1ACA1CA2CA9 | |
| SCHEMBL21410221 | 0.81 | EGFR (0.39) | EGFR | |
| SCHEMBL30973537 | 0.81 | EGFR (0.39) | EGFR | |
| SCHEMBL2280832 | 0.81 | SNCA (0.38) | EGFRHIF1AKDM4ECA1CA2 | |
| SCHEMBL31652177 | 0.81 | LPL (0.40) | EGFR |
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-114007605-B | Macrocyclic broad spectrum antibiotics | 豪夫迈·罗氏有限公司 | 2022-07-15 | — | — | CN | disclosed |
| EP-3968983-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | F. Hoffmann-La Roche AG (CH) | 2022-03-23 | — | — | EP | disclosed |