Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.73 |
| ▸ | POLB | P06746 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.66 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 4/20 | 0.38 |
| ▸ | CNR2 | P34972 | 4/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28844918 | 1.00 | CYP3A4 (0.73) | CYP3A4CYP2D6KCNH2POLBTSHR | |
| Hydrochloric Acid SCHEMBL28149111 | 0.99 | CYP3A4 (0.76) | CYP3A4CYP2D6KCNH2POLBTSHR | |
| Hydrochloric Acid SCHEMBL28149115 | 0.99 | CYP3A4 (0.76) | CYP3A4CYP2D6KCNH2POLBTSHR | |
| SCHEMBL28149132 | 0.93 | KCNK3 (0.74) | CYP3A4CYP2D6KCNH2POLBTSHR | |
| SCHEMBL28149173 | 0.93 | KCNK3 (0.74) | CYP3A4CYP2D6KCNH2POLBTSHR | |
| SCHEMBL28149134 | 0.93 | KCNK3 (0.74) | CYP3A4CYP2D6KCNH2POLBTSHR | |
| Hydrochloric Acid SCHEMBL28149152 | 0.92 | KCNK3 (0.72) | CYP3A4CYP2D6KCNH2POLBTSHR | |
| Hydrochloric Acid SCHEMBL28148080 | 0.92 | KCNK3 (0.72) | CYP3A4CYP2D6KCNH2POLBTSHR | |
| Hydrochloric Acid SCHEMBL28148081 | 0.92 | KCNK3 (0.72) | CYP3A4CYP2D6KCNH2POLBTSHR | |
| SCHEMBL28148035 | 0.90 | CYP3A4 (0.59) | CYP3A4CYP2D6KCNH2POLBTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-106699744-B | Heterocyclic amide derivative, preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-106699744-A | Heterocyclic acylamide derivative and preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2017-05-24 | — | — | CN | disclosed |