Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 6/20 | 0.54 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KHK | P50053 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | NQO2 | P16083 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15228766 | 0.86 | ENPP1 (0.53) | ENPP1ENPP3KDM4EMAPTGAA | |
| SCHEMBL15228860 | 0.80 | PIM1 (0.48) | ENPP1ENPP3KDM4EMAPTGAA | |
| SCHEMBL24276712 | 0.79 | NQO2 (0.50) | MAPTGAAALDH1A1BACE1NQO2 | |
| SCHEMBL30753418 | 0.78 | KDM4E (0.42) | ENPP1ENPP3KDM4EMAPTGAA | |
| SCHEMBL30753419 | 0.77 | MAPT (0.42) | ENPP1ENPP3KDM4EMAPTGAA | |
| SCHEMBL30753429 | 0.77 | KDM4E (0.46) | ENPP1ENPP3KDM4EMAPTGAA | |
| SCHEMBL28967302 | 0.74 | NQO2 (0.47) | MAPTGAAALDH1A1BACE1NQO2 | |
| SCHEMBL30504380 | 0.74 | NQO2 (0.47) | MAPTGAAALDH1A1BACE1NQO2 | |
| SCHEMBL30106715 | 0.74 | BACE1 (0.44) | ENPP1ENPP3KDM4EMAPTGAA | |
| SCHEMBL13641617 | 0.74 | MAPT (0.63) | KDM4EMAPTGAAALDH1A1KHK |
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-106554320-A | Condensed ring aromatic hydrocarbon derivative with quinoxaline group and application thereof | 北京鼎材科技有限公司 | 2017-04-05 | — | — | CN | disclosed |