Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.37 |
| ▸ | ROS1 | P08922 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28381017 | 1.00 | PTGS2 (0.44) | PTGS2PTGS1CNR1CNR2NQO2 | |
| SCHEMBL28382612 | 1.00 | PTGS2 (0.44) | PTGS2PTGS1CNR1CNR2NQO2 | |
| SCHEMBL29842691 | 0.81 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL6256555 | 0.81 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL7179556 | 0.81 | PTGS2 (0.67) | PTGS2PTGS1CNR1CNR2CYP2A6 | |
| SCHEMBL6249792 | 0.80 | CYP11B1 (0.50) | PTGS2PTGS1CNR1CNR2NQO2 | |
| SCHEMBL16794565 | 0.76 | PTGS2 (0.63) | PTGS2PTGS1NPY5RCYP2A6CYP19A1 | |
| SCHEMBL6276011 | 0.70 | PTGS2 (0.53) | PTGS2PTGS1NPY5RCYP2A6ROS1 | |
| SCHEMBL18039106 | 0.68 | ADORA2A (0.59) | PTGS2PTGS1CNR1CNR2NQO2 | |
| SCHEMBL2126117 | 0.68 | PTGS2 (0.65) | PTGS2PTGS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114159421-B | Pharmaceutical composition comprising dimethyl fumarate | 阿尔米雷尔有限公司 | 2023-08-25 | — | — | CN | disclosed |