Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 4/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL19659253 | 0.85 | EGLN2 (0.50) | NUDT1GRM2PARP1JAK2JAK1 | |
| SCHEMBL19658700 | 0.80 | NUDT1 (0.38) | NUDT1PARP1JAK2JAK1TYK2 | |
| SCHEMBL2730240 | 0.74 | NUDT1 (0.62) | KDM4EALDH1A1FYNNUDT1PARP1 | |
| SCHEMBL22439076 | 0.73 | KDM4E (0.43) | KDM4EALDH1A1HPGDNUDT1PARP1 | |
| SCHEMBL23754207 | 0.71 | JAK1 (0.51) | KDM4EALDH1A1HPGDJAK2JAK1 | |
| SCHEMBL28485655 | 0.70 | AHR (0.47) | KDM4EALDH1A1NUDT1PARP1 | |
| SCHEMBL19659614 | 0.70 | KDM4E (0.43) | KDM4EALDH1A1HPGDPARP1 | |
| SCHEMBL19658956 | 0.67 | PARP1 (0.39) | KDM4EALDH1A1NUDT1PARP1JAK2 | |
| SCHEMBL19658973 | 0.67 | L3MBTL1 (0.36) | KDM4EALDH1A1NUDT1PARP1JAK2 | |
| SCHEMBL23754392 | 0.66 | JAK2 (0.51) | KDM4EALDH1A1HPGDJAK2JAK1 |
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-3760625-A1 | BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES | F. Hoffmann-La Roche AG (CH) | 2021-01-06 | — | — | EP | disclosed |
| WO-2017004500-A9 | BICYCLIC LACTAMS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2017-11-30 | — | — | WO | disclosed |