Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CTRC | Q99895 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10032665 | 0.94 | CYP2A6 (0.48) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032178 | 0.93 | CYP2A6 (0.49) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL13015625 | 0.87 | CYP11B1 (0.59) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032533 | 0.87 | CYP11B2 (0.59) | CYP19A1CYP17A1CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL10032728 | 0.87 | KIF11 (0.50) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032252 | 0.87 | CYP2A6 (0.51) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL13658726 | 0.85 | CYP11B1 (0.56) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032352 | 0.85 | CYP11B2 (0.56) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032631 | 0.85 | CYP11B2 (0.44) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032675 | 0.85 | CYP11B2 (0.55) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 |
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 |