Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
| ▸ | CCR8 | P51685 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10032687 | 0.97 | CYP2A6 (0.42) | CCR1CCR8CYP2A6TGFBR1ESR1 | |
| SCHEMBL10032689 | 0.95 | CCR1 (0.43) | CCR1CCR8CYP2A6TGFBR1ESR1 | |
| SCHEMBL10032678 | 0.94 | CYP2A6 (0.42) | CCR1CCR8CYP2A6TGFBR1ESR1 | |
| SCHEMBL10032922 | 0.93 | CYP2A6 (0.41) | CCR1CCR8CYP2A6TGFBR1ESR1 | |
| SCHEMBL10032871 | 0.93 | CCR1 (0.43) | CCR1CCR8CYP2A6TGFBR1RAB9A | |
| SCHEMBL10032750 | 0.92 | CYP2A6 (0.40) | CCR1CCR8CYP2A6TGFBR1ESR1 | |
| SCHEMBL10032424 | 0.91 | CYP2A6 (0.42) | CCR1CCR8CYP2A6TGFBR1RAB9A | |
| SCHEMBL10032663 | 0.91 | CCR1 (0.44) | CCR1CCR8CYP2A6TGFBR1ESR1 | |
| SCHEMBL17532878 | 0.91 | CCR1 (0.47) | CCR1CCR8CYP2A6TGFBR1MEN1 | |
| SCHEMBL10032497 | 0.90 | CCR1 (0.44) | CCR1CCR8CYP2A6TGFBR1MEN1 |
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 |