Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.52 |
| ▸ | NOS1 | P29475 | 1/20 | 0.52 |
| ▸ | NOS2 | P35228 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | MYC | P01106 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3302943 | 1.00 | NOS3 (0.52) | NOS3NOS1NOS2CYP2A6LRRK2 | |
| SCHEMBL2547947 | 0.85 | CTSK (0.40) | NOS3NOS1NOS2MYCCYP3A4 | |
| SCHEMBL6244474 | 0.81 | LOXL2 (0.46) | NOS3NOS1MYCCYP3A4XDH | |
| SCHEMBL5509083 | 0.80 | HSD17B10 (0.45) | CYP3A4HPGD | |
| SCHEMBL2642690 | 0.80 | LOXL2 (0.52) | MYCXDHABCG2 | |
| SCHEMBL454924 | 0.80 | RECQL (0.52) | MYCXDHABCG2PARP14GRM2 | |
| SCHEMBL451724 | 0.80 | MYC (0.39) | MYCXDHABCG2CTSKPARP14 | |
| SCHEMBL2642689 | 0.80 | MYC (0.39) | MYCXDHABCG2CTSKPARP14 | |
| SCHEMBL6466230 | 0.80 | MYC (0.39) | MYCXDHABCG2PARP14GRM2 | |
| SCHEMBL451725 | 0.80 | MYC (0.39) | MYCXDHABCG2PARP14GRM2 |
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-117534670-A | Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders | 加拉帕戈斯股份有限公司 | 2024-02-09 | — | — | CN | disclosed |
| CN-111225916-B | Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders | 加拉帕戈斯股份有限公司 | 2023-11-03 | — | — | CN | disclosed |