Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.71 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PIM1 | P11309 | 1/20 | 0.48 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | VHL | P40337 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
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 | 0.95 | CYP2A6 (0.69) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL9974952 | 0.89 | CYP2A6 (0.64) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL9974980 | 0.88 | CYP2A6 (0.58) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL9974907 | 0.86 | LMNA (0.52) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL14655918 | 0.86 | KDM4E (0.56) | CYP2A6NPC1TP53PKMRAB9A | |
| SCHEMBL9974994 | 0.85 | CYP2A6 (0.49) | CYP2A6PIM2CYP11B1CYP3A4PTGS2 | |
| SCHEMBL9974932 | 0.85 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP1A2CYP19A1CYP17A1 | |
| SCHEMBL9974904 | 0.85 | HPGDS (0.51) | CYP2A6NPC1TP53PKMRAB9A | |
| SCHEMBL9975012 | 0.85 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP1A2GRM5CYP19A1 | |
| SCHEMBL9974919 | 0.84 | LMNA (0.50) | 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 |