Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.45 |
| ▸ | SMO | Q99835 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28059108 | 0.86 | KDM4E (0.48) | CYP3A4ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL2755876 | 0.82 | CYP3A4 (0.75) | CYP3A4ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL28059194 | 0.80 | ALDH1A1 (0.47) | CYP3A4ALDH1A1KDM4EHSD17B10TSHR | |
| Piperazine SCHEMBL28070940 | 0.77 | ALDH1A1 (0.70) | CYP3A4ALDH1A1KDM4EHSD17B10TSHR | |
| Methane SCHEMBL28071148 | 0.76 | KDM4E (0.49) | CYP3A4ALDH1A1KDM4EHSD17B10TSHR | |
| Methylpiperazine SCHEMBL28059211 | 0.76 | ALDH1A1 (0.65) | CYP3A4ALDH1A1KDM4EHSD17B10TSHR | |
| Piperazine SCHEMBL28080084 | 0.76 | ALDH1A1 (0.68) | CYP3A4ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL316937 | 0.75 | CHRNB2 (0.50) | ALDH1A1CYP2D6CYP1A2CYP2C9KMT2A | |
| SCHEMBL6721 | 0.75 | CHRNB2 (0.50) | ALDH1A1CYP2D6CYP1A2CYP2C9KMT2A | |
| Ethane SCHEMBL27604108 | 0.74 | CHRNB2 (0.48) | ALDH1A1CYP2D6CYP1A2CYP2C9KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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-104619709-B | Imidazopyridine derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-11-09 | — | — | 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 |