Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA4 | P48058 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12299149 | 1.00 | GRIA4 (0.45) | GRIA4PTGS2CHRNB2CHRNA4CYP2C9 | |
| SCHEMBL23542270 | 1.00 | GRIA4 (0.45) | GRIA4PTGS2CHRNB2CHRNA4CYP2C9 | |
| SCHEMBL12299141 | 0.98 | GRIA4 (0.44) | GRIA4PTGS2CHRNB2CHRNA4CYP2C9 | |
| SCHEMBL17973753 | 0.98 | GRIA4 (0.44) | GRIA4PTGS2CHRNB2CHRNA4CYP2C9 | |
| SCHEMBL12299061 | 0.98 | GRIA4 (0.44) | GRIA4PTGS2CHRNB2CHRNA4CYP2C9 | |
| SCHEMBL12299068 | 0.98 | GRIA4 (0.44) | GRIA4PTGS2CHRNB2CHRNA4CYP2C9 | |
| SCHEMBL12299146 | 0.96 | GRIA4 (0.41) | GRIA4PTGS2CYP2C9ALDH1A1TSHR | |
| SCHEMBL8531958 | 0.96 | GRIA4 (0.41) | GRIA4PTGS2CYP2C9ALDH1A1TSHR | |
| SCHEMBL13027935 | 0.93 | PTGS2 (0.42) | GRIA4PTGS2CHRNB2CHRNA4CYP17A1 | |
| SCHEMBL13027938 | 0.93 | PTGS2 (0.42) | GRIA4PTGS2CHRNB2CHRNA4CYP17A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20160225998-A1 | CHARGE-TRANSPORTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2016-08-04 | — | — | US | disclosed |