Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | HPGD | P15428 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | BLM | P54132 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4726558 | 0.81 | TSHR (0.55) | ALDH1A1HPGDKDM4EMAPTMEN1 | |
| SCHEMBL11042337 | 0.69 | SCD (0.44) | KDM4EMAPTTP53 | |
| SCHEMBL28077694 | 0.69 | KDM4E (0.40) | ALDH1A1HPGDKDM4ECYP1A2CDK1 | |
| SCHEMBL28257291 | 0.67 | LOXL2 (0.53) | ALDH1A1HPGDKDM4ECYP1A2CYP2D6 | |
| SCHEMBL6799273 | 0.67 | GAA (0.61) | ALDH1A1HPGDKDM4ECYP1A2CYP2D6 | |
| SCHEMBL2475792 | 0.66 | MMP3 (0.45) | MAPTMEN1KMT2AUSP2SMN1; SMN2 | |
| SCHEMBL28257168 | 0.66 | APP (0.46) | HPGDAURKARPS6KB1MAPTMEN1 | |
| SCHEMBL28257132 | 0.66 | KDM4E (0.51) | ALDH1A1HPGDKDM4EMAPTMEN1 | |
| SCHEMBL28866282 | 0.66 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4EMAPTMEN1 | |
| SCHEMBL28255602 | 0.65 | HPGD (0.55) | ALDH1A1HPGDKDM4ECYP1A2CYP2D6 |
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-104447585-B | Pyrazine compounds and combinations thereof thing and purposes | 广东东阳光药业有限公司 | 2016-08-24 | — | — | CN | disclosed |