Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.50 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | LTK | P29376 | 1/20 | 0.38 |
| ▸ | GRK5 | P34947 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2635796 | 0.80 | ERCC1 (0.47) | ERCC1ERCC4GABRA1GABRB1ALDH1A1 | |
| SCHEMBL2635354 | 0.80 | ERCC1 (0.43) | ERCC1ERCC4ALDH1A1CREBBPBACE1 | |
| SCHEMBL9949061 | 0.79 | ERCC1 (0.50) | ERCC1ERCC4ALDH1A1CREBBPBACE1 | |
| SCHEMBL23488021 | 0.77 | DAO (0.52) | CHEK1AURKAMAP4K4ABL1CSF1R | |
| SCHEMBL22185347 | 0.77 | FABP4 (0.41) | GABRA1GABRB1ALDH1A1CHEK1AURKA | |
| SCHEMBL20028266 | 0.75 | DAO (0.50) | GABRA1GABRB1CHEK1AURKAMAP4K4 | |
| SCHEMBL15468987 | 0.75 | CHEK1 (0.38) | ERCC1ERCC4ALDH1A1CHEK1AURKA | |
| SCHEMBL28669845 | 0.75 | DAO (0.41) | ERCC1ERCC4GABRA1GABRB1CHEK1 | |
| SCHEMBL2635821 | 0.73 | ERCC1 (0.41) | ERCC1ERCC4GABRA1GABRB1ALDH1A1 | |
| SCHEMBL13843689 | 0.72 | CHEK1 (0.36) | ALDH1A1CHEK1AURKAMAP4K4ABL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023146512-A1 | COMPOUNDS AND METHODS OF USE THEREOF | VIVACE THERAPEUTICS, INC. (US) | 2023-08-03 | — | — | WO | disclosed |
| EP-2569313-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143426-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |