Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 4/20 | 0.39 |
| ▸ | CCR8 | P51685 | 3/20 | 0.39 |
| ▸ | CCR5 | P51681 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10063498 | 0.98 | CYP2A6 (0.43) | CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2 | |
| SCHEMBL30779331 | 0.98 | CYP2A6 (0.43) | CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2 | |
| SCHEMBL29489793 | 0.96 | CYP2A6 (0.42) | CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2 | |
| SCHEMBL2338637 | 0.96 | CYP2A6 (0.42) | CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2 | |
| SCHEMBL16920015 | 0.88 | L3MBTL1 (0.45) | CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2 | |
| SCHEMBL25205392 | 0.86 | L3MBTL1 (0.57) | CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2 | |
| SCHEMBL31341382 | 0.86 | L3MBTL1 (0.57) | CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2 | |
| SCHEMBL12722849 | 0.83 | GABRP (0.39) | CYP2A6CYP1A2L3MBTL1CCR1CCR8 | |
| SCHEMBL12722852 | 0.83 | GABRP (0.39) | CYP2A6CYP1A2L3MBTL1CCR1CCR8 | |
| SCHEMBL13747898 | 0.82 | GABRP (0.41) | CYP2A6CYP1A2L3MBTL1ALDH1A1PDK2 |
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-2007071450-A1 | ELECTRONIC DEVICE WITH A LAYER STRUCTURE OF ORGANIC LAYERS | NOVALED AG (DE) | 2007-06-28 | — | — | WO | disclosed |