Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 5/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 2/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | FPR3 | P25089 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29455217 | 0.91 | SSTR4 (0.44) | TACR1NAMPTKCNH2SCN5ASCN9A | |
| SCHEMBL29455219 | 0.82 | ENPP2 (0.47) | TACR1KCNH2 | |
| SCHEMBL29455194 | 0.82 | ENPP2 (0.47) | TACR1KCNH2 | |
| SCHEMBL29455206 | 0.81 | TACR1 (0.37) | TACR1NAMPTKCNH2SCN5ASCN9A | |
| SCHEMBL17112622 | 0.81 | KCNK3 (0.42) | NAMPTNR1H2 | |
| SCHEMBL17112620 | 0.81 | KCNK3 (0.42) | NAMPTNR1H2 | |
| SCHEMBL29455209 | 0.80 | ALDH1A1 (0.37) | FPR3FPR2SMN1; SMN2 | |
| SCHEMBL16961993 | 0.76 | ENPP2 (0.43) | NR1H2JAK1MEN1KMT2A | |
| SCHEMBL16961995 | 0.76 | ENPP2 (0.43) | NR1H2JAK1MEN1KMT2A | |
| SCHEMBL16962692 | 0.76 | ENPP2 (0.43) | NR1H2JAK1MEN1KMT2A |
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-112778274-B | Nitrogen-containing heterocyclic derivative and preparation thereof | 四川海思科制药有限公司 | 2022-02-15 | — | — | CN | disclosed |