Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10032689 | 0.97 | CCR1 (0.43) | CYP2A6CCR1CCR8TGFBR1ESR1 | |
| SCHEMBL10032687 | 0.96 | CYP2A6 (0.42) | CYP2A6CCR1CCR8TGFBR1ESR1 | |
| SCHEMBL10032903 | 0.94 | CYP2A6 (0.41) | CYP2A6CCR1CCR8TGFBR1ESR1 | |
| SCHEMBL10032750 | 0.93 | CYP2A6 (0.40) | CYP2A6CCR1CCR8TGFBR1ESR1 | |
| SCHEMBL10032424 | 0.93 | CYP2A6 (0.42) | CYP2A6CCR1CCR8TGFBR1CYP1A1 | |
| SCHEMBL10032902 | 0.93 | CCR1 (0.44) | CYP2A6CCR1CCR8TGFBR1ESR1 | |
| SCHEMBL10032871 | 0.92 | CCR1 (0.43) | CYP2A6CCR1CCR8TGFBR1CYP1A1 | |
| SCHEMBL10032678 | 0.90 | CYP2A6 (0.42) | CYP2A6CCR1CCR8TGFBR1ESR1 | |
| SCHEMBL17532878 | 0.90 | CCR1 (0.47) | CYP2A6CCR1CCR8TGFBR1MEN1 | |
| SCHEMBL10032484 | 0.89 | CYP2A6 (0.41) | CYP2A6CCR1CCR8TGFBR1ESR1 |
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-2012060374-A1 | ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-10 | — | — | WO | disclosed |