Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL170635 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL10500748 | 0.83 | — | — | |
| SCHEMBL8108672 | 0.83 | — | — | |
| Alcohol SCHEMBL28651029 | 0.81 | GAA (0.46) | ALDH1A1GAAKDM4ECYP1A2ALOX15 | |
| Ethylene SCHEMBL27616164 | 0.81 | — | — | |
| SCHEMBL27824132 | 0.78 | ALDH1A1 (0.48) | ALDH1A1GAAKDM4ETSHRCYP1A2 | |
| Sulfuric Acid SCHEMBL11065873 | 0.77 | GAA (0.42) | ALDH1A1GAAKDM4ECYP1A2HPGD | |
| SCHEMBL27818416 | 0.77 | GAA (0.42) | ALDH1A1GAAKDM4ETSHRGLA | |
| Urethane SCHEMBL5693672 | 0.77 | ALOX15 (0.68) | ALDH1A1GAAKDM4ETSHRCYP1A2 | |
| Ethyl Acetate SCHEMBL27589856 | 0.77 | ALDH1A1 (0.64) | ALDH1A1GAAKDM4ETSHRCYP1A2 |
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-109311810-A | Use of compounds for the preparation of products having at least one N-halamine precursor group and at least one cationic center | 埃克斯根杰技术公司 | 2019-02-05 | — | — | CN | disclosed |