Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13445183 | 0.79 | KDM4E (0.56) | ALDH1A1KDM4EMAPTMAOAACHE | |
| SCHEMBL28616122 | 0.77 | ACHE (0.63) | ALDH1A1CYP3A4KDM4EMAPTMAOA | |
| SCHEMBL27110193 | 0.76 | KDM4E (0.38) | ALDH1A1CYP3A4DHODHABCG2KDM4E | |
| SCHEMBL8967704 | 0.73 | CYP3A4 (0.46) | ALDH1A1CYP3A4DHODHKDM4EMAPT | |
| SCHEMBL15346406 | 0.73 | HCAR2 (0.46) | ALDH1A1CYP3A4DHODHABCG2KDM4E | |
| SCHEMBL24604916 | 0.73 | DHODH (0.41) | ALDH1A1CYP3A4DHODHABCG2KDM4E | |
| SCHEMBL1650848 | 0.72 | PLAUR (0.47) | ALDH1A1CYP3A4DHODHKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL5336924 | 0.70 | PLAUR (0.46) | ALDH1A1CYP3A4DHODHKDM4EGLA | |
| Phenazine SCHEMBL19970688 | 0.70 | MAPT (0.55) | ALDH1A1CYP3A4KDM4EMAPTACHE | |
| SCHEMBL28915934 | 0.70 | MAPT (0.55) | ALDH1A1CYP3A4KDM4EMAPTACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021135182-A1 | NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS | 陕西莱特光电材料股份有限公司 | 2021-07-08 | — | — | WO | disclosed |