Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | HTR5A | P47898 | 1/20 | 0.34 |
| ▸ | DKK1 | O94907 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL10032753 | 0.89 | CYP2A6 (0.44) | CYP11B2CYP11B1CYP17A1CYP19A1CYP2A6 | |
| SCHEMBL10032185 | 0.88 | CYP11B2 (0.42) | CYP11B2CYP11B1CYP17A1CYP19A1CYP2A6 | |
| SCHEMBL10032861 | 0.88 | CYP2A6 (0.46) | CYP11B2CYP11B1CYP17A1CYP19A1CYP2A6 | |
| SCHEMBL13016369 | 0.87 | CYP11B1 (0.47) | CYP11B2CYP11B1CYP17A1CYP19A1CCR1 | |
| SCHEMBL10032873 | 0.86 | GRM5 (0.39) | CYP11B2CYP11B1CYP17A1CYP19A1CCR1 | |
| SCHEMBL10032512 | 0.86 | CCR1 (0.41) | CYP2A6CCR1CCR5CCR8SIRT2 | |
| SCHEMBL10032191 | 0.83 | CYP17A1 (0.40) | CYP11B2CYP11B1CYP17A1CYP19A1CYP2A6 | |
| SCHEMBL10032893 | 0.83 | CYP2A6 (0.43) | CYP2A6CCR1CCR5CCR8SIRT2 | |
| SCHEMBL10032638 | 0.82 | CCR1 (0.44) | CYP2A6CCR1CCR5CCR8ABL1 | |
| SCHEMBL10032217 | 0.82 | CYP11B2 (0.44) | CYP11B2CYP11B1CYP17A1CYP19A1CYP2A6 |
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 |