Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 7/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | ABAT | P80404 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | TACR1 | P25103 | 4/20 | 0.40 |
| ▸ | ATXN2 | Q99700 | 5/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.37 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29455220 | 1.00 | ENPP2 (0.52) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL29455194 | 0.92 | ENPP2 (0.47) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL29455219 | 0.92 | ENPP2 (0.47) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL28559237 | 0.83 | ENPP2 (0.40) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL29455208 | 0.83 | ENPP2 (0.40) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL29455217 | 0.82 | SSTR4 (0.44) | KCNH2TACR1KMT2A | |
| SCHEMBL29455205 | 0.76 | ENPP2 (0.67) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL28549865 | 0.76 | ENPP2 (0.67) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL28549864 | 0.76 | ENPP2 (0.67) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL28912364 | 0.75 | SSTR4 (0.38) | — |
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-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 |
| CN-112778274-A | Nitrogen-containing heterocyclic derivative and preparation thereof | 四川海思科制药有限公司 | 2021-05-11 | — | — | CN | disclosed |