Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13308934 | 0.83 | TSHR (0.50) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| SCHEMBL9347641 | 0.83 | TSHR (0.50) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| SCHEMBL13964623 | 0.83 | TSHR (0.50) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| SCHEMBL29013171 | 0.80 | TSHR (0.39) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL19832834 | 0.80 | TSHR (0.42) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| SCHEMBL16381999 | 0.79 | TSHR (0.42) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| SCHEMBL10093703 | 0.79 | TSHR (0.33) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL9341595 | 0.78 | TSHR (0.46) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| SCHEMBL284018 | 0.78 | TSHR (0.40) | TSHRCYP2D6CYP2C19HIF1AHMGCR | |
| SCHEMBL15478866 | 0.77 | TSHR (0.41) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 |
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-113166158-A | 7-, 8-and 10-substituted aminotriazoloquinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and uses thereof | 默沙东公司 | 2021-07-23 | — | — | CN | disclosed |