Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL9974981 | 0.94 | CYP2A6 (0.69) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL9974980 | 0.89 | CYP2A6 (0.58) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL9974928 | 0.89 | CYP2A6 (0.71) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL9974921 | 0.87 | CYP19A1 (0.51) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP19A1 | |
| SCHEMBL9975005 | 0.85 | CYP2A6 (0.47) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL9974924 | 0.84 | CYP2A6 (0.62) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL9974947 | 0.84 | CYP2A6 (0.62) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL14655793 | 0.84 | CYP2A6 (0.68) | CYP2A6TP53SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL30835019 | 0.84 | CYP2A6 (0.55) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL28609827 | 0.84 | CYP2A6 (0.55) | CYP2A6NPC1TP53PKMTSHR |
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 |