Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6354584 | 0.82 | GABRA1 (0.43) | CYP1A2GABRA1GABRB2CYP3A4MAPT | |
| SCHEMBL9797581 | 0.82 | CYP2A6 (0.41) | CYP2A6HSD17B10TSHRALDH1A1 | |
| SCHEMBL30526718 | 0.80 | CYP2A6 (0.42) | CYP2A6EPHX2NR1H4CYP1A2MAPT | |
| SCHEMBL22159807 | 0.80 | CYP2A6 (0.42) | CYP2A6EPHX2NR1H4CYP1A2MAPT | |
| SCHEMBL189788 | 0.78 | GABRA1 (0.46) | CYP2A6EPHX2NR1H4CYP1A2GABRA1 | |
| SCHEMBL14005550 | 0.78 | GABRA1 (0.40) | CYP2A6EPHX2NR1H4CYP1A2GABRA1 | |
| SCHEMBL22159785 | 0.77 | NR1I2 (0.34) | CYP1A2CYP3A4SMN1; SMN2HSD17B10TDP1 | |
| SCHEMBL13293062 | 0.77 | NR1I2 (0.31) | NR1I2ALDH1A1 | |
| SCHEMBL29590945 | 0.74 | ALDH1A1 (0.52) | CYP2A6CYP1A2CYP3A4HSD17B10TDP1 | |
| SCHEMBL3735918 | 0.74 | ALDH1A1 (0.52) | CYP2A6CYP1A2CYP3A4HSD17B10TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110386926-B | Organic photoelectric material containing benzo-heterocycle structure and preparation method and application thereof | 武汉尚赛光电科技有限公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-110386926-A | A kind of organic photoelectrical material and its preparation method and application containing benzheterocycle structure | 武汉尚赛光电科技有限公司 | 2019-10-29 | — | — | CN | disclosed |