Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9438306 | 0.67 | NFKB1 (0.34) | NFKB1NFKB2RELAATR | |
| SCHEMBL28269645 | 0.67 | NFKB1 (0.42) | EPHX2NFKB1NFKB2RELAGAA | |
| SCHEMBL27991298 | 0.67 | NFKB1 (0.42) | EPHX2NFKB1NFKB2RELAGAA | |
| SCHEMBL12071184 | 0.66 | NFKB1 (0.37) | EPHX2NFKB1NFKB2RELAGAA | |
| SCHEMBL38659725 | 0.63 | GAA (0.47) | EPHX2NFKB1NFKB2RELAGAA | |
| SCHEMBL29675032 | 0.63 | GAA (0.45) | EPHX2NFKB1NFKB2RELAGAA | |
| SCHEMBL4317219 | 0.63 | — | — | |
| SCHEMBL4151983 | 0.63 | ATR (0.39) | EPHX2NFKB1NFKB2RELAGAA | |
| SCHEMBL20689331 | 0.63 | GAA (0.35) | EPHX2NFKB1NFKB2RELAGAA | |
| SCHEMBL13055402 | 0.62 | CYP17A1 (0.59) | GAACA1CA12CA9CYP17A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021149817-A1 | Enhancement of anti-tumor activity of SHP2 inhibitor pyrimidinone in combination with novel cancer medicines in cancers | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-07-29 | — | — | WO | disclosed |