Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.34 |
| ▸ | GABRP | O00591 | 4/20 | 0.34 |
| ▸ | GABRD | O14764 | 4/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.34 |
| ▸ | GABRE | P78334 | 4/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.34 |
| ▸ | GABRG1 | Q8N1C3 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28001125 | 0.78 | TSHR (0.35) | POLBTSHRMAPK1GAAGLA | |
| SCHEMBL2333762 | 0.78 | PLAU (0.37) | ALDH1A1PLAUKDM4EPOLBSMN1; SMN2 | |
| SCHEMBL17238705 | 0.77 | PLAU (0.36) | ALDH1A1PLAUKDM4EPOLBSMN1; SMN2 | |
| SCHEMBL715069 | 0.77 | PLAU (0.36) | ALDH1A1PLAUKDM4EPOLBSMN1; SMN2 | |
| SCHEMBL28363679 | 0.77 | TSHR (0.34) | PDE2ATSHRMAPK1NOS3NOS2 | |
| SCHEMBL630411 | 0.75 | PLAU (0.35) | ALDH1A1PLAUKDM4EPOLBSMN1; SMN2 | |
| SCHEMBL19471036 | 0.75 | NOTUM (0.35) | ALDH1A1PLAUKDM4EPOLBSMN1; SMN2 | |
| SCHEMBL27913900 | 0.72 | TSHR (0.34) | POLBTSHRMAPK1CYP1A2CYP2C19 | |
| SCHEMBL6381071 | 0.72 | — | — | |
| SCHEMBL17238695 | 0.72 | PDE2A (0.36) | ALDH1A1PLAUKDM4EPOLBSMN1; SMN2 |
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-108003162-B | Condensed heterocyclic compouds and its application | 华南农业大学 | 2019-02-05 | — | — | CN | disclosed |
| CN-108003162-A | Condensed heterocyclic compouds and its application | 华南农业大学 | 2018-05-08 | — | — | CN | disclosed |