Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.58 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974952 | 0.89 | CYP2A6 (0.64) | CYP2A6MKNK1MKNK2PIM1PIM2 | |
| SCHEMBL9974981 | 0.89 | CYP2A6 (0.69) | CYP2A6MKNK1MKNK2PIM1PIM2 | |
| SCHEMBL14297294 | 0.89 | CYP2A6 (0.64) | CYP2A6MKNK1MKNK2PIM1PIM2 | |
| SCHEMBL9974922 | 0.88 | CYP11B1 (0.51) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL14297248 | 0.88 | CYP2A6 (0.66) | CYP2A6PIM1PIM2NPC1TP53 | |
| SCHEMBL9974928 | 0.88 | CYP2A6 (0.71) | CYP2A6MKNK1MKNK2PIM1PIM2 | |
| SCHEMBL9974921 | 0.86 | CYP19A1 (0.51) | CYP2A6MKNK1MKNK2PIM1PIM2 | |
| SCHEMBL12925656 | 0.86 | KDM4E (0.56) | CYP2A6PIM1NPC1TP53PKM | |
| SCHEMBL14297289 | 0.85 | CYP2A6 (0.62) | CYP2A6MKNK1MKNK2PIM1PIM2 | |
| SCHEMBL9974986 | 0.84 | KDM4E (0.50) | CYP2A6NPC1TP53PKMRAB9A |
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 |