Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 7/20 | 0.51 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.38 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.38 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29724128 | 0.77 | GRM5 (0.52) | GRM5CYP1A1CYP1B1SMN1; SMN2L3MBTL1 | |
| SCHEMBL674040 | 0.77 | ALDH1A1 (0.65) | GRM5CYP1A1CYP1B1ALDH1A1KDM4E | |
| SCHEMBL15870932 | 0.77 | GRM5 (0.59) | GRM5HAO1KDM4E | |
| SCHEMBL31286309 | 0.77 | GRM5 (0.59) | GRM5HAO1KDM4E | |
| SCHEMBL29829307 | 0.72 | ALDH1A1 (0.38) | GRM5CYP1A1CYP1B1ALDH1A1FGFR1 | |
| SCHEMBL23497950 | 0.72 | GRM5 (0.47) | GRM5HAO1 | |
| SCHEMBL1105471 | 0.71 | GRM5 (0.53) | GRM5HAO1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL29829257 | 0.71 | FGFR2 (0.38) | GRM5ALDH1A1FGFR1FGFR2FGFR4 | |
| SCHEMBL29828922 | 0.71 | GRM5 (0.37) | GRM5CYP1A1CYP1B1ALDH1A1FGFR1 | |
| SCHEMBL402092 | 0.71 | GRM5 (0.50) | GRM5HAO1ALDH1A1KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-114853739-B | Acetylenic pyrazine FGFR inhibitor and preparation method and application thereof | 药雅科技(上海)有限公司 | 2023-09-22 | — | — | CN | disclosed |
| CN-114853739-A | Alkynyl pyrazine FGFR inhibitor and preparation method and application thereof | 药雅科技(上海)有限公司 | 2022-08-05 | — | — | CN | disclosed |