Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | BCHE | P06276 | 3/20 | 0.53 |
| ▸ | ACHE | P22303 | 3/20 | 0.53 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9507758 | 0.89 | BCHE (0.59) | CYP2A6BCHEACHENOX1MAPT | |
| SCHEMBL4929830 | 0.86 | — | — | |
| SCHEMBL9511257 | 0.86 | BCHE (0.48) | CYP2A6BCHEACHENOX1HPGD | |
| SCHEMBL9508955 | 0.86 | BCHE (0.48) | CYP2A6BCHEACHENOX1HPGD | |
| SCHEMBL9507568 | 0.81 | NOX1 (0.58) | CYP2A6BCHEACHENOX1MAPT | |
| SCHEMBL18979065 | 0.81 | NOX1 (0.56) | CYP2A6BCHEACHENOX1MAPT | |
| SCHEMBL30493460 | 0.81 | NOX1 (0.56) | CYP2A6BCHEACHENOX1MAPT | |
| SCHEMBL27519187 | 0.77 | NOX1 (0.54) | CYP2A6BCHEACHENOX1MAPT | |
| SCHEMBL152521 | 0.76 | CYP2A6 (1.00) | CYP2A6MAPTRAB9AGAANPC1 | |
| SCHEMBL30071035 | 0.76 | CYP2A6 (1.00) | CYP2A6MAPTRAB9AGAANPC1 |
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-2016105072-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2016-06-30 | — | — | WO | disclosed |