Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | PRNP | P04156 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7248509 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19KDM4EPRKDC | |
| SCHEMBL7466112 | 0.80 | ALDH1A1 (0.48) | ABCB1ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL17049149 | 0.77 | TSHR (0.43) | ABCB1ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL4763180 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C19KDM4EPRKDC | |
| SCHEMBL28754525 | 0.74 | GAA (0.54) | ABCB1ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL7422929 | 0.74 | GLA (0.56) | ABCB1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL6818074 | 0.70 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP2C19KDM4ETSHR | |
| SCHEMBL20564150 | 0.70 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C19KDM4EPRKDC | |
| SCHEMBL25015639 | 0.70 | ALDH1A1 (0.61) | ALDH1A1CYP1A2KDM4EPRKDCTSHR | |
| SCHEMBL23784821 | 0.69 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C19KDM4ETSHR |
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-2023005267-A1 | BENZO [B] SELENOPHENE STING REGULATING AGENT, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 中国药科大学 | 2023-02-02 | — | — | WO | disclosed |