Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 3/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16158369 | 0.69 | CYP2A6 (0.47) | CYP2A6METAP2JAK2PDPK1AHR | |
| SCHEMBL57643 | 0.67 | ESR2 (0.46) | CYP2A6METAP2JAK2PDPK1AHR | |
| SCHEMBL14099591 | 0.67 | ESR2 (0.42) | CYP2A6METAP2JAK2PDPK1AHR | |
| SCHEMBL31049230 | 0.65 | BCL2 (0.50) | CYP2A6METAP2JAK2PDPK1AHR | |
| SCHEMBL56836 | 0.65 | CYP2A6 (0.57) | CYP2A6METAP2AHRALDH1A1ERN1 | |
| SCHEMBL30132916 | 0.65 | GPR84 (0.41) | CYP2A6METAP2JAK2PDPK1AHR | |
| SCHEMBL13616030 | 0.65 | BCL2 (0.45) | CYP2A6METAP2JAK2PDPK1AHR | |
| SCHEMBL1165315 | 0.65 | GPR84 (0.41) | CYP2A6METAP2JAK2PDPK1AHR | |
| SCHEMBL6679360 | 0.65 | GPR84 (0.41) | CYP2A6METAP2JAK2PDPK1AHR | |
| SCHEMBL2886196 | 0.63 | CYP2A6 (0.33) | CYP2A6AHRALOX15ALDH1A1HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3323871-A2 | ORGANIC HOLE TRANSPORTING COMPOUND USING P-DOPED CONJUGATED POLYMER ELECTROLYTE, ORGANIC ELECTRONIC DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR | Konkuk University Industrial Cooperation Corp. (KR) | 2018-05-23 | — | — | EP | disclosed |