Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL25027122 | 0.92 | NCF1 (0.37) | GBA1ACHENCF1CHRM5ADRA2C | |
| SCHEMBL25856575 | 0.92 | NCF1 (0.37) | GBA1ACHENCF1CHRM5ADRA2C | |
| SCHEMBL24480751 | 0.92 | GBA1 (0.33) | GBA1ACHECHRM5ADRA2CGNAO1 | |
| SCHEMBL24480752 | 0.85 | NCF1 (0.39) | ACHENCF1CHRM5ADRA2CCACNA2D1 | |
| SCHEMBL945557 | 0.84 | NCF1 (0.45) | GBA1ACHENCF1CHRM5ADRA2C | |
| SCHEMBL24480972 | 0.83 | OPRM1 (0.31) | GBA1ACHECHRM5ADRA2CGNAO1 | |
| SCHEMBL23874494 | 0.83 | ACHE (0.40) | GBA1ACHENCF1CHRM5ADRA2C | |
| SCHEMBL25026639 | 0.83 | NCF1 (0.43) | GBA1ACHENCF1CHRM5ADRA2C | |
| SCHEMBL25074009 | 0.83 | NCF1 (0.39) | GBA1ACHENCF1CHRM5ADRA2C | |
| SCHEMBL18883293 | 0.83 | NCF1 (0.39) | GBA1ACHENCF1CHRM5ADRA2C |
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-2022111526-A1 | BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2022-06-02 | — | — | WO | disclosed |