Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | GPR3 | P46089 | 3/20 | 0.30 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24104 | 0.97 | HPRT1 (0.35) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL4824194 | 0.97 | HPRT1 (0.35) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL2407351 | 0.91 | HPRT1 (0.35) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL18221932 | 0.83 | ALDH1A1 (0.39) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL534967 | 0.82 | ALDH1A1 (0.37) | ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL2411457 | 0.82 | — | — | |
| SCHEMBL2411859 | 0.82 | — | — | |
| SCHEMBL2408375 | 0.82 | — | — | |
| SCHEMBL2408225 | 0.82 | — | — | |
| SCHEMBL14719209 | 0.82 | ALDH1A1 (0.38) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011105700-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-09-01 | — | — | WO | disclosed |