Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | CCR1 | P32246 | 2/20 | 0.46 |
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | CCR8 | P51685 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 8/20 | 0.41 |
| ▸ | RAB9A | P51151 | 8/20 | 0.41 |
| ▸ | TP53 | P04637 | 7/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.41 |
| ▸ | PKM | P14618 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4612674 | 0.92 | KDM4E (0.54) | CYP2A6KDM4ELMNACCR1CCR5 | |
| SCHEMBL30189385 | 0.92 | KDM4E (0.54) | CYP2A6KDM4ELMNACCR1CCR5 | |
| SCHEMBL4613671 | 0.81 | KDM4E (0.46) | CYP2A6KDM4ELMNACCR1CCR5 | |
| Cyclohexene SCHEMBL29031319 | 0.81 | KDM4E (0.42) | CYP2A6KDM4ELMNACCR1CCR5 | |
| Pyridine SCHEMBL28090026 | 0.79 | CYP2A6 (0.48) | CYP2A6KDM4ELMNACCR1CCR5 | |
| Dipyridyl SCHEMBL104482 | 0.77 | KDM4E (0.78) | CYP2A6KDM4ELMNACCR1CCR5 | |
| Dipyridyl SCHEMBL892382 | 0.77 | KDM4E (0.78) | CYP2A6KDM4ELMNACCR1CCR5 | |
| SCHEMBL12471328 | 0.76 | KDM4E (0.53) | CYP2A6KDM4ELMNACCR1CCR5 | |
| SCHEMBL8891958 | 0.76 | PIEZO1 (0.40) | CYP2A6KDM4ELMNACCR1CCR5 | |
| Dipyridyl SCHEMBL2685509 | 0.75 | KDM4E (0.74) | CYP2A6KDM4ELMNACCR1CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115010702-A | Organic compound, light-emitting device using the same, and display device | 京东方科技集团股份有限公司 | 2022-09-06 | — | — | CN | disclosed |