Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.39 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL20524343 | 1.00 | NFKB1 (0.39) | NFKB1CA1CA2CA4MAP3K7 | |
| SCHEMBL7489005 | 1.00 | NFKB1 (0.39) | NFKB1CA1CA2CA4MAP3K7 | |
| SCHEMBL7486894 | 0.82 | ALDH1A1 (0.45) | CA1CA2MAP3K7TAB1SMN1; SMN2 | |
| SCHEMBL11557165 | 0.78 | CA1 (0.39) | NFKB1CA1CA2CA4MAP3K7 | |
| SCHEMBL11557166 | 0.78 | CA1 (0.39) | NFKB1CA1CA2CA4MAP3K7 | |
| SCHEMBL17843957 | 0.77 | MAP3K7 (0.39) | NFKB1CA1CA2CA4MAP3K7 | |
| SCHEMBL7470388 | 0.77 | MAP3K7 (0.39) | NFKB1CA1CA2CA4MAP3K7 | |
| SCHEMBL20525190 | 0.75 | CDK4 (0.36) | ALDH1A1 | |
| SCHEMBL8914275 | 0.74 | TNFRSF1A (0.38) | NFKB1CA1CA2CA4MAP3K7 | |
| SCHEMBL8914271 | 0.74 | TNFRSF1A (0.38) | NFKB1CA1CA2CA4MAP3K7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3860995-A1 | ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2021-08-11 | — | — | EP | disclosed |
| WO-2020072627-A1 | ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER | GENENTECH, INC. (US) | 2020-04-09 | — | — | WO | disclosed |
| EP-3601284-A1 | NAPHTHYRIDINES AS INHIBITORS OF HPK1 | H. Hoffnabb-La Roche Ag (CH) | 2020-02-05 | — | — | EP | disclosed |
| EP-3601259-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | H. Hoffnabb-La Roche Ag (CH) | 2020-02-05 | — | — | EP | disclosed |
| WO-2018183964-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2018-10-04 | — | — | WO | disclosed |
| WO-2018183956-A1 | NAPHTHYRIDINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2018-10-04 | — | — | WO | disclosed |