Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL11656139 | 0.66 | PARP15 (0.47) | CHEK1LIMK1MAPK14CLK4ALDH1A1 | |
| SCHEMBL2228619 | 0.64 | CYP2A6 (0.50) | CYP2A6KMOALDH1A1SMN1; SMN2NOS1 | |
| SCHEMBL29644361 | 0.62 | CYP2A6 (0.77) | CYP2A6ALDH1A1SMN1; SMN2NOS1DYRK1A | |
| SCHEMBL865990 | 0.62 | CYP2A6 (0.77) | CYP2A6ALDH1A1SMN1; SMN2NOS1DYRK1A | |
| Hydrochloric Acid SCHEMBL29200223 | 0.60 | CYP2A6 (0.72) | CYP2A6ALDH1A1SMN1; SMN2NOS1DYRK1A | |
| SCHEMBL30027002 | 0.60 | CYP2A6 (0.72) | CYP2A6ALDH1A1SMN1; SMN2NOS1DYRK1A | |
| SCHEMBL2473615 | 0.60 | CYP2A6 (0.72) | CYP2A6ALDH1A1SMN1; SMN2NOS1DYRK1A | |
| SCHEMBL3660473 | 0.59 | KMO (0.51) | KMOALDH1A1SMN1; SMN2NOS1HTR2A | |
| SCHEMBL13106151 | 0.59 | KMO (0.51) | KMOCYP11B1CYP11B2 | |
| SCHEMBL11549772 | 0.58 | MAPT (0.65) | CYP2A6KMOALDH1A1HTR2AHTR2C |
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-2018080065-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2018-05-03 | — | — | WO | disclosed |