Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 3/20 | 0.57 |
| ▸ | GLA | P06280 | 5/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL571685 | 1.00 | KDM4E (0.57) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL30981750 | 0.85 | KDM4E (0.49) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL14130585 | 0.80 | KDM4E (0.61) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL321444 | 0.80 | KDM4E (0.75) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL29446776 | 0.80 | KDM4E (0.75) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL1719724 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TDP1ELANEKMT2A | |
| SCHEMBL29791960 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TDP1ELANEKMT2A | |
| SCHEMBL30939424 | 0.78 | KDM4E (0.42) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL321679 | 0.76 | KDM4E (0.69) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL12187271 | 0.76 | HTR2A (0.58) | KDM4EALDH1A1HPGDGAAGLA |
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-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 |