Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.36 |
| ▸ | TDP2 | O95551 | 2/20 | 0.36 |
| ▸ | HPGDS | O60760 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | QPCT | Q16769 | 1/20 | 0.34 |
| ▸ | QPCTL | Q9NXS2 | 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 | |
|---|---|---|---|---|
| SCHEMBL16361130 | 0.79 | MEN1 (0.45) | CYP2A6CYP11B1CYP11B2CYP1A2MKNK1 | |
| SCHEMBL9975002 | 0.76 | CYP2A6 (0.68) | CYP2A6CYP11B1CYP11B2CYP1A2MKNK1 | |
| SCHEMBL13016493 | 0.75 | MKNK1 (0.42) | CYP2A6CYP11B1CYP11B2CYP1A2MKNK1 | |
| SCHEMBL20780996 | 0.74 | CYP11B1 (0.39) | CYP2A6CYP11B1CYP11B2CYP1A2MKNK1 | |
| SCHEMBL15827379 | 0.74 | NPY5R (0.41) | CYP2A6CYP11B1CYP11B2CYP1A2MKNK1 | |
| SCHEMBL19289665 | 0.73 | CYP11B2 (0.34) | CYP2A6CYP11B1CYP11B2CYP1A2MKNK1 | |
| SCHEMBL21647912 | 0.73 | CYP2A6 (0.79) | CYP2A6CYP11B1CYP11B2CYP1A2MKNK1 | |
| SCHEMBL15827384 | 0.72 | CYP19A1 (0.41) | CYP2A6CYP11B1CYP11B2CYP1A2MKNK1 | |
| SCHEMBL13016401 | 0.72 | NPY5R (0.42) | CYP2A6CYP11B1CYP11B2CYP1A2MKNK1 | |
| SCHEMBL14655793 | 0.71 | CYP2A6 (0.68) | CYP2A6CYP11B1CYP11B2CYP1A2MKNK1 |
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-2012081541-A1 | 1, 2, 4, 5-SUBSTITUTED PHENYL DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 (JP) | 2012-06-21 | — | — | WO | disclosed |