Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCGR | P47871 | 5/20 | 0.58 |
| ▸ | DHFR | P00374 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6512533 | 0.88 | GCGR (0.54) | GCGRDHFRHSD11B1GPR84KCNH2 | |
| SCHEMBL27876741 | 0.88 | GCGR (0.49) | GCGRDHFRHSD11B1GPR84PTGES | |
| Benzene SCHEMBL2538746 | 0.82 | KCNH2 (0.50) | KCNH2LIPGTLR8TSHRHTR2A | |
| SCHEMBL8469081 | 0.82 | HTT (0.44) | GCGRDHFRHSD11B1GPR84KCNH2 | |
| SCHEMBL8360810 | 0.82 | GCGR (0.49) | GCGRDHFRHSD11B1GPR84KCNH2 | |
| SCHEMBL10482118 | 0.81 | GCGR (0.47) | GCGRDHFRHSD11B1GPR84KCNH2 | |
| Toluene SCHEMBL17008152 | 0.81 | LMNA (0.50) | HSD11B1KCNH2LIPGTLR8TSHR | |
| SCHEMBL7060341 | 0.80 | DHFR (0.52) | GCGRDHFRHSD11B1GPR84TLR8 | |
| SCHEMBL2882017 | 0.80 | DHFR (0.52) | GCGRDHFRHSD11B1GPR84TLR8 | |
| SCHEMBL18103307 | 0.80 | GCGR (0.48) | GCGRDHFRHSD11B1GPR84KCNH2 |
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-106433186-B | Fluorescent dichroic dye containing 4-diphenylacetylene acenaphtho [1,2-b ] pyrazine-8, 9-dinitrile, preparation method and application thereof | 大连理工大学 | 2018-01-30 | — | — | CN | disclosed |
| CN-106433186-A | Fluorescent dichroic dye containing 4-diphenylacetylene acenaphtho [1,2-b ] pyrazine-8, 9-dinitrile, preparation method and application thereof | 大连理工大学 | 2017-02-22 | — | — | CN | disclosed |