Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 4/20 | 0.38 |
| ▸ | FGFR3 | P22607 | 4/20 | 0.37 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.34 |
| ▸ | FGFR4 | P22455 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29829257 | 0.81 | FGFR2 (0.38) | ALDH1A1GRM5FGFR3FGFR2FGFR1 | |
| SCHEMBL29828922 | 0.81 | GRM5 (0.37) | ALDH1A1GRM5FGFR3FGFR2CYP1A1 | |
| SCHEMBL674040 | 0.77 | ALDH1A1 (0.65) | ALDH1A1GRM5CYP1A1CYP1B1APP | |
| SCHEMBL29828921 | 0.75 | FGFR1 (0.44) | FGFR3FGFR2FGFR1FGFR4 | |
| SCHEMBL29829575 | 0.72 | GRM5 (0.51) | ALDH1A1GRM5FGFR3FGFR2CYP1A1 | |
| SCHEMBL16140275 | 0.71 | ALDH1A1 (0.50) | ALDH1A1GRM5CYP1A1CYP1B1APP | |
| SCHEMBL30898398 | 0.68 | GRM5 (0.38) | ALDH1A1GRM5FGFR3FGFR2CYP1A1 | |
| SCHEMBL29724141 | 0.68 | GRM5 (0.38) | ALDH1A1GRM5FGFR3FGFR2CYP1A1 | |
| SCHEMBL29724135 | 0.68 | CHRNB2 (0.39) | ALDH1A1GRM5FGFR3FGFR2CYP1A1 | |
| SCHEMBL673820 | 0.67 | APP (0.69) | ALDH1A1CYP1A1CYP1B1APPL3MBTL1 |
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 |