Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL19123049 | 0.88 | TSHR (0.37) | TSHR | |
| SCHEMBL21776054 | 0.81 | — | — | |
| SCHEMBL24134047 | 0.77 | CARM1 (0.30) | — | |
| SCHEMBL10639229 | 0.77 | KDM4E (0.35) | KDM4EGAATSHR | |
| SCHEMBL13082726 | 0.77 | KDM4E (0.36) | KDM4EGAATSHR | |
| SCHEMBL4685793 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL2018787 | 0.73 | — | — | |
| SCHEMBL3477253 | 0.73 | KDM4E (0.46) | KDM4EGAATSHRHSD11B1 | |
| SCHEMBL25840877 | 0.73 | KDM4E (0.34) | KDM4EGAATSHR | |
| SCHEMBL12605182 | 0.73 | KDM4E (0.34) | KDM4EGAATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018081091-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. (US) | 2018-05-03 | — | — | WO | disclosed |
| WO-2018057884-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2018-03-29 | — | — | WO | disclosed |