Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | KIF11 | P52732 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.52 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.52 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL19309597 | 0.96 | CYP2A6 (0.56) | CYP2A6CYP3A4ALDH1A1CYP1A2NPC1 | |
| SCHEMBL12339140 | 0.94 | CYP2A6 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2NPC1 | |
| SCHEMBL12339149 | 0.94 | MKNK1 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2NPC1 | |
| SCHEMBL4582701 | 0.94 | CYP2A6 (0.68) | CYP2A6CYP3A4ALDH1A1CYP1A2NPC1 | |
| SCHEMBL260412 | 0.94 | CYP2A6 (0.68) | CYP2A6CYP3A4ALDH1A1CYP1A2NPC1 | |
| SCHEMBL29087586 | 0.89 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2KIF11 | |
| SCHEMBL29462717 | 0.89 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2KIF11 | |
| SCHEMBL19270245 | 0.89 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2KIF11 | |
| SCHEMBL30522293 | 0.89 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2KIF11 | |
| SCHEMBL29401742 | 0.89 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2KIF11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8399108-B2 | Material for organic electro-optical device having fluorene derivative compound and organic electro-optical device including the same | CHEIL INDUSTRIES, INC. (KR) | 2013-03-19 | — | — | US | disclosed |
| US-8399108-B2 | Material for organic electro-optical device having fluorene derivative compound and organic electro-optical device including the same | CHEIL INDUSTRIES, INC. (KR) | 2013-03-19 | — | — | US | disclosed |