Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 7/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | ABAT | P80404 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | ATXN2 | Q99700 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29455218 | 1.00 | ENPP2 (0.54) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL28557225 | 1.00 | ENPP2 (0.54) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL29455195 | 1.00 | ENPP2 (0.54) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL28563416 | 1.00 | ENPP2 (0.54) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL29455203 | 0.88 | ENPP2 (0.48) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL28553866 | 0.88 | ENPP2 (0.48) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL28560616 | 0.82 | KDM4E (0.36) | ENPP2HTR2AABATSIGMAR1KDM4E | |
| SCHEMBL29455207 | 0.82 | KDM4E (0.36) | ENPP2HTR2AABATSIGMAR1KDM4E | |
| SCHEMBL29455205 | 0.82 | ENPP2 (0.67) | ENPP2HTR2AABATSIGMAR1KCNH2 | |
| SCHEMBL28549864 | 0.82 | ENPP2 (0.67) | ENPP2HTR2AABATSIGMAR1KCNH2 |
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 |