Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | TEK | Q02763 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL10032453 | 0.93 | CYP2A6 (0.49) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032665 | 0.92 | CYP2A6 (0.48) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032164 | 0.89 | CYP11B2 (0.57) | CYP19A1CYP17A1CYP11B2CYP11B1ABL1 | |
| SCHEMBL10032478 | 0.88 | CYP11B2 (0.48) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032182 | 0.86 | CYP11B2 (0.55) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032486 | 0.86 | CYP11B2 (0.60) | CYP19A1CYP17A1CYP11B2CYP11B1ABL1 | |
| SCHEMBL13658726 | 0.85 | CYP11B1 (0.56) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032631 | 0.85 | CYP11B2 (0.44) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL10032728 | 0.85 | KIF11 (0.50) | CYP2A6CYP19A1CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL13015625 | 0.85 | CYP11B1 (0.59) | 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 |