Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | RAC1 | P63000 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10032424 | 0.99 | CYP2A6 (0.42) | CCR1CCR8CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL10032497 | 0.97 | CCR1 (0.44) | CCR1CCR8CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL10032750 | 0.96 | CYP2A6 (0.40) | CCR1CCR8CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL10032484 | 0.94 | CYP2A6 (0.41) | CCR1CCR8CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL15977569 | 0.93 | CCR1 (0.42) | CCR1CCR8CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL10032687 | 0.93 | CYP2A6 (0.42) | CCR1CCR8CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL10032902 | 0.93 | CCR1 (0.44) | CCR1CCR8CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL10032663 | 0.93 | CCR1 (0.44) | CCR1CCR8CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL10032922 | 0.92 | CYP2A6 (0.41) | CCR1CCR8CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL10032689 | 0.91 | CCR1 (0.43) | CCR1CCR8CYP2A6CYP1A1CYP1B1 |
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 |