Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.63 |
| ▸ | 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 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16614444 | 0.86 | CYP2A6 (0.60) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL16614437 | 0.86 | KDM4E (0.50) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL21019386 | 0.85 | CYP2A6 (0.63) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL16614440 | 0.84 | CYP2A6 (0.43) | CYP2A6NPC1TP53PKMRAB9A | |
| SCHEMBL9974981 | 0.80 | CYP2A6 (0.69) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL16614443 | 0.80 | NPC1 (0.45) | CYP2A6NPC1TP53PKMRAB9A | |
| SCHEMBL10030094 | 0.79 | CYP2A6 (0.67) | CYP2A6NPC1TP53PKMTSHR | |
| [2,3'']Bipyridinyl SCHEMBL29389597 | 0.79 | CYP2A6 (1.00) | CYP2A6NPC1TP53PKMTSHR | |
| [2,3'']Bipyridinyl SCHEMBL998601 | 0.79 | CYP2A6 (1.00) | CYP2A6NPC1TP53PKMTSHR | |
| [2,3'']Bipyridinyl SCHEMBL29486847 | 0.79 | CYP2A6 (1.00) | 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-2015046982-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2015-04-02 | — | — | WO | disclosed |