Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ARSA | P15289 | 1/20 | 0.35 |
| ▸ | CDC25A | P30304 | 1/20 | 0.35 |
| ▸ | CDC25C | P30307 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | HPGD | P15428 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25641035 | 0.93 | CYP1A1 (0.36) | ARSACDC25ACDC25CCYP1A1CYP1B1 | |
| SCHEMBL25641002 | 0.92 | CA12 (0.34) | ARSACDC25ACDC25CCYP1A1CYP1B1 | |
| SCHEMBL25641014 | 0.91 | CYP1A1 (0.32) | ARSACDC25ACDC25CCYP1A1CYP1B1 | |
| SCHEMBL25641036 | 0.91 | CYP1A1 (0.38) | CYP1A1CYP1B1CYP1A2KDM4EHPGD | |
| SCHEMBL25640978 | 0.90 | CYP1A1 (0.38) | ARSACDC25ACDC25CCYP1A1CYP1B1 | |
| SCHEMBL25641000 | 0.89 | CYP1A1 (0.34) | ARSACDC25ACDC25CCYP1A1CYP1B1 | |
| SCHEMBL25641012 | 0.89 | CYP1A1 (0.31) | CYP1A1CYP1B1CYP1A2KDM4EHPGD | |
| SCHEMBL25640986 | 0.88 | CYP1A1 (0.38) | CYP1A1CYP1B1CYP1A2KDM4EHPGD | |
| SCHEMBL25640820 | 0.88 | ABCG2 (0.32) | CYP1A1CYP1A2IKBKBKDM4EABCG2 | |
| SCHEMBL25639953 | 0.88 | CYP1A1 (0.35) | ARSACDC25ACDC25CCYP1A1CYP1B1 |
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-2023113334-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2023-06-22 | — | — | WO | disclosed |