Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 2/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4681692 | 0.83 | CYP2A6 (0.33) | CYP2A6CYP3A4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL4681696 | 0.83 | TBXAS1 (0.37) | CYP2A6CYP3A4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL4684862 | 0.81 | TBXAS1 (0.39) | CYP2A6CYP3A4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL4684856 | 0.81 | TDP1 (0.33) | CYP2A6CYP3A4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL4686198 | 0.80 | LMNA (0.33) | CYP2A6CYP3A4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL4682192 | 0.80 | TBXAS1 (0.41) | CYP2A6CYP3A4CYP1A2ALDH1A1HRH1 | |
| SCHEMBL4682190 | 0.80 | LMNA (0.33) | CYP2A6CYP3A4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL4686200 | 0.80 | TBXAS1 (0.41) | CYP2A6CYP3A4CYP1A2ALDH1A1HRH1 | |
| SCHEMBL4681563 | 0.79 | CYP2A6 (0.35) | CYP2A6CYP3A4CYP1A2ALDH1A1CYP2D6 | |
| SCHEMBL4681569 | 0.79 | MKNK1 (0.37) | CYP2A6CYP3A4CYP1A2ALDH1A1CYP2D6 |
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-105814054-B | Condensed imidazole and pyrazole derivatives as TNF active regulators | UCB生物制药私人有限公司 | 2018-09-25 | — | — | CN | disclosed |
| CN-105814054-A | Fused imidazole and pyrazole derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |