Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.38 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21994369 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2AKDM4EMPI | |
| SCHEMBL8662301 | 0.70 | PARP10 (0.42) | GAAALDH1A1MEN1KMT2ASAE1 | |
| SCHEMBL28173058 | 0.70 | ALDH1A1 (0.44) | GAAALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL1754055 | 0.70 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2AKDM4EMPI | |
| SCHEMBL8887688 | 0.68 | ADORA3 (0.45) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL27370090 | 0.68 | AURKA (0.39) | GAAALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL8213818 | 0.66 | PARP10 (0.78) | ALDH1A1KMT2ASAE1UBA2CA1 | |
| SCHEMBL20521837 | 0.66 | GAA (0.53) | GAAGRM2 | |
| SCHEMBL3468087 | 0.65 | SLC5A2 (0.56) | ALDH1A1KDM4EMPIAPOBEC3G | |
| SCHEMBL30365897 | 0.65 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ACA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3887371-A1 | ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020109191-A1 | ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2020-06-04 | — | — | WO | disclosed |