Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17055549 | 0.91 | CYP2A6 (0.52) | CYP2A6GRM5CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL15161074 | 0.90 | CYP2A6 (0.42) | CYP2A6GRM5DHODHWNT3AKDR | |
| SCHEMBL17532877 | 0.87 | NPC1 (0.44) | CYP2A6CYP1A2WNT3AHPGDSPDE10A | |
| SCHEMBL18174708 | 0.87 | WNT3A (0.39) | CYP2A6GRM5DHODHCNR2KDM4E | |
| SCHEMBL18174701 | 0.85 | WNT3A (0.37) | CYP2A6GRM5CNR2KDM4EMETAP1 | |
| SCHEMBL18174680 | 0.84 | CYP2A6 (0.50) | CYP2A6GRM5KDM4ELMNACCR1 | |
| SCHEMBL18174721 | 0.84 | CYP2A6 (0.46) | CYP2A6GRM5CCR1CCR8NPC1 | |
| SCHEMBL18174699 | 0.84 | CYP3A4 (0.46) | CYP2A6DHODHKDM4ELMNACCR1 | |
| SCHEMBL2083184 | 0.84 | CYP2A6 (0.60) | CYP2A6GRM5CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL29777054 | 0.84 | CYP2A6 (0.60) | CYP2A6GRM5CYP1A2CYP2D6CYP19A1 |
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-9478750-B2 | Anthracene derivative and organic electroluminescent element using the same | JNC CORPORATION (JP) | 2016-10-25 | — | — | US | disclosed |
| US-9478750-B2 | Anthracene derivative and organic electroluminescent element using the same | JNC CORPORATION (JP) | 2016-10-25 | — | — | US | disclosed |