Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP4Z1 | Q86W10 | 2/20 | 0.43 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.43 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5401319 | 0.77 | MGAM (0.44) | CYP4F2CYP4A11ALDH1A1CYP4Z1CYP2D6 | |
| Succinic Acid Diethyl Ester SCHEMBL27646294 | 0.76 | GAA (0.57) | CYP1A2CYP4F2CYP4A11ALDH1A1ALOX15 | |
| SCHEMBL16378090 | 0.76 | ALDH1A1 (0.49) | CYP1A2CYP4F2CYP4A11ALDH1A1ALOX15 | |
| Succinic Acid Diethyl Ester SCHEMBL4959014 | 0.76 | PARP1 (0.44) | CYP1A2CYP4F2CYP4A11ALDH1A1BRD4 | |
| Cyclohexane SCHEMBL1778903 | 0.75 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11ALDH1A1TDP1 | |
| Cyclohexane SCHEMBL28326645 | 0.75 | DGKA (0.63) | CYP1A2ALDH1A1TDP1ALOX15CYP3A4 | |
| SCHEMBL11066828 | 0.75 | MGAM (0.46) | CYP4F2CYP4A11ALDH1A1CYP4Z1CYP2D6 | |
| SCHEMBL28105445 | 0.74 | CYP4F2 (0.43) | CYP1A2CYP4F2CYP4A11ALDH1A1BRD4 | |
| SCHEMBL22334798 | 0.74 | CYP4F2 (0.65) | CYP1A2CYP4F2CYP4A11TDP1CYP4Z1 | |
| SCHEMBL23262028 | 0.73 | CYP4Z1 (0.49) | CYP4F2CYP4A11ALDH1A1TDP1CYP4Z1 |
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 |