Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TOP1 | P11387 | 1/20 | 0.31 |
| ▸ | TOP2A | P11388 | 1/20 | 0.31 |
| ▸ | GSR | P00390 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21942071 | 0.98 | CYP1A1 (0.35) | CYP1A1CYP1B1HSD17B10CASP1HRH4 | |
| SCHEMBL21941894 | 0.94 | CYP1A1 (0.35) | CYP1A1CYP1B1HSD17B10CASP1HRH4 | |
| SCHEMBL21942098 | 0.92 | TUBB4A (0.34) | CYP1A1CYP1B1GSRCYP1A2 | |
| SCHEMBL21942099 | 0.89 | GSR (0.32) | CYP1A1CYP1B1GSRCYP1A2 | |
| SCHEMBL22277010 | 0.87 | ESR1 (0.37) | HSD17B10CASP1HRH4KDM4EALDH1A1 | |
| SCHEMBL19831775 | 0.87 | CYP1A1 (0.36) | CYP1A1CYP1B1HSD17B10CASP1HRH4 | |
| SCHEMBL21941551 | 0.86 | CYP1A1 (0.34) | CYP1A1CYP1B1 | |
| SCHEMBL21941611 | 0.86 | CYP1A1 (0.34) | CYP1A1CYP1B1 | |
| SCHEMBL21942023 | 0.86 | HSD17B10 (0.37) | HSD17B10CASP1HRH4KDM4EALDH1A1 | |
| SCHEMBL22277124 | 0.85 | HSD17B10 (0.34) | HSD17B10CASP1HRH4KDM4EALDH1A1 |
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-2020153652-A1 | COMPOUND, AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME | 주식회사 엘지화학 | 2020-07-30 | — | — | WO | disclosed |