Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CIT | O14578 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | PRKCB | P05771 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | MARK3 | P27448 | 1/20 | 0.31 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.31 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30503530 | 0.84 | AXL (0.41) | AXLNUDT1BRD4APPCDK8 | |
| SCHEMBL4569788 | 0.84 | AXL (0.41) | AXLNUDT1BRD4APPCDK8 | |
| SCHEMBL2393049 | 0.80 | AXL (0.35) | AXLNUDT1BRD4APP | |
| SCHEMBL24248223 | 0.78 | AXL (0.36) | AXLNUDT1BRD4APPCDK8 | |
| SCHEMBL20838816 | 0.77 | AXL (0.35) | AXLNUDT1BRD4CITAPP | |
| SCHEMBL29362564 | 0.76 | AXL (0.41) | AXLNUDT1BRD4APPCDK8 | |
| SCHEMBL20354682 | 0.76 | AXL (0.41) | AXLNUDT1BRD4APPCDK8 | |
| SCHEMBL20283841 | 0.76 | AXL (0.37) | AXLNUDT1BRD4APP | |
| SCHEMBL18924352 | 0.75 | TAS1R3 (0.37) | AXLNUDT1BRD4APP | |
| SCHEMBL12259476 | 0.73 | BRD4 (0.33) | AXLNUDT1BRD4 |
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-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |