Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL4824194 | 0.94 | HPRT1 (0.35) | HPRT1CYP1A2ALDH1A1HSD17B10THRB | |
| SCHEMBL24104 | 0.94 | HPRT1 (0.35) | HPRT1CYP1A2ALDH1A1HSD17B10THRB | |
| SCHEMBL2413265 | 0.91 | HPRT1 (0.36) | HPRT1CYP1A2ALDH1A1HSD17B10THRB | |
| SCHEMBL2409495 | 0.91 | CYP2A6 (0.33) | HPRT1CYP1A2ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL534967 | 0.85 | ALDH1A1 (0.37) | CYP1A2ALDH1A1HSD17B10THRBHPGD | |
| SCHEMBL18221932 | 0.81 | ALDH1A1 (0.39) | HPRT1CYP1A2ALDH1A1HSD17B10THRB | |
| SCHEMBL5028366 | 0.81 | PADI4 (0.38) | ALDH1A1HSD17B10THRBHPGDTSHR | |
| SCHEMBL28496768 | 0.81 | CYP1A2 (0.33) | CYP1A2HSD17B10HPGDCYP2A6TSHR | |
| SCHEMBL534952 | 0.79 | HPRT1 (0.58) | HPRT1CYP1A2ALDH1A1HSD17B10THRB | |
| SCHEMBL2411457 | 0.79 | — | — |
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 |