Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.47 |
| ▸ | GAA | P10253 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | GLA | P06280 | 7/20 | 0.46 |
| ▸ | POLB | P06746 | 6/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL29450719 | 0.78 | KDM4E (0.55) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL600291 | 0.78 | KDM4E (0.55) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL9433474 | 0.75 | KDM4E (0.57) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL29446776 | 0.71 | KDM4E (0.75) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL321444 | 0.71 | KDM4E (0.75) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL14130585 | 0.71 | KDM4E (0.61) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL22325718 | 0.69 | KDM4E (0.55) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL29806030 | 0.69 | TSHR (0.52) | GAAALDH1A1MAOASMN1; SMN2SLC6A2 | |
| SCHEMBL36370 | 0.69 | TSHR (0.52) | GAAALDH1A1MAOASMN1; SMN2SLC6A2 | |
| SCHEMBL673651 | 0.68 | TDP1 (0.47) | ALDH1A1HPGDTDP1RAB9AMAPT |
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-113121439-B | Compound, pharmaceutical composition, medicine and application of compound, pharmaceutical composition and medicine in preparation of antibacterial product | 山东大学 | 2022-05-03 | — | — | CN | disclosed |
| CN-113121439-A | Compound, pharmaceutical composition, medicine and application of compound, pharmaceutical composition and medicine in preparation of antibacterial product | 山东大学 | 2021-07-16 | — | — | CN | disclosed |