Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 3/20 | 0.31 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19954798 | 0.81 | KIF11 (0.39) | CYP1A2CYP2D6KIF11 | |
| Hydrochloric Acid SCHEMBL4343137 | 0.78 | KIF11 (0.36) | CYP1A2CYP2D6KIF11SOAT2SOAT1 | |
| SCHEMBL19954802 | 0.78 | KCNN4 (0.31) | KIF11 | |
| SCHEMBL19954763 | 0.77 | KCNN4 (0.44) | CYP1A2CYP2D6KIF11 | |
| SCHEMBL19954771 | 0.76 | SOAT2 (0.35) | CYP1A2CYP2D6KIF11SOAT2SOAT1 | |
| SCHEMBL19954683 | 0.69 | CHRM3 (0.37) | CYP2D6 | |
| SCHEMBL19954744 | 0.67 | MAOA (0.37) | CYP1A2CYP2D6KIF11 | |
| SCHEMBL1059898 | 0.67 | KCNN4 (0.48) | — | |
| SCHEMBL19954716 | 0.66 | TAAR1 (0.46) | CYP1A2CYP2D6KIF11 | |
| SCHEMBL19954746 | 0.65 | CHRM3 (0.34) | KIF11 |
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-9917273-B2 | Cross-linking polymer and organic electroluminescent element using same | IDEMITSU KOSAN CO., LTD. (JP) | 2018-03-13 | — | — | US | disclosed |