Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.44 |
| ▸ | MGLL | Q99685 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.40 |
| ▸ | F11 | P03951 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19195016 | 0.92 | ESR1 (0.46) | ESR1ESR2HSD17B1HSD17B2MGLL | |
| SCHEMBL22534564 | 0.90 | MGLL (0.43) | ESR1ESR2HSD17B1HSD17B2MGLL | |
| Benzene SCHEMBL5134896 | 0.85 | ALDH1A1 (0.50) | MGLLCA1CA2CYP1A2CYP2C19 | |
| SCHEMBL24958 | 0.83 | HSD17B10 (0.46) | MGLLCA1CA2CYP1A2CYP2C19 | |
| SCHEMBL29414927 | 0.83 | HSD17B10 (0.46) | MGLLCA1CA2CYP1A2CYP2C19 | |
| SCHEMBL25825360 | 0.80 | GRIN2D (0.55) | ESR1ESR2HSD17B1HSD17B2GRIN2D | |
| SCHEMBL27616568 | 0.78 | ESR1 (0.57) | ESR1ESR2HSD17B1HSD17B2GRIN2D | |
| SCHEMBL29643193 | 0.78 | ESR1 (0.49) | ESR1ESR2HSD17B1HSD17B2MGLL | |
| SCHEMBL1527511 | 0.78 | ESR1 (0.49) | ESR1ESR2HSD17B1HSD17B2MGLL | |
| SCHEMBL4638941 | 0.78 | ALDH1A1 (0.42) | HSD17B1HSD17B2MGLLCA1CA2 |
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-112592308-A | Novel organic compound and application thereof in OLED device | 北京燕化集联光电技术有限公司 | 2021-04-02 | — | — | CN | disclosed |