Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 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 | |
|---|---|---|---|---|
| SCHEMBL7219765 | 0.80 | ALDH1A1 (0.47) | CYP2D6KCNA5KCNE1ALDH1A1KDM4E | |
| SCHEMBL29968555 | 0.77 | — | — | |
| SCHEMBL152133 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL8915319 | 0.75 | NPC1 (0.44) | CYP2D6NPC1ALDH1A1CYP2C19KDM4E | |
| SCHEMBL4728794 | 0.74 | KDM4E (0.52) | CYP2D6NPC1ALDH1A1CYP2C19KDM4E | |
| SCHEMBL29582311 | 0.74 | NPC1 (0.44) | CYP2D6KCNA5KCNE1NPC1ALDH1A1 | |
| SCHEMBL1268914 | 0.74 | NPC1 (0.44) | CYP2D6KCNA5KCNE1NPC1ALDH1A1 | |
| SCHEMBL30286470 | 0.74 | — | — | |
| SCHEMBL13976103 | 0.73 | CYP2D6 (0.41) | CYP2D6KCNA5KCNE1NPC1ALDH1A1 | |
| SCHEMBL19597644 | 0.73 | KCNA5 (0.47) | CYP2D6KCNA5KCNE1CYP2C19KCNH2 |
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-112105367-A | Buffered microcapsule compositions and methods | 第一牙科产品公司 | 2020-12-18 | — | — | CN | disclosed |