Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.44 |
| ▸ | KDM5A | P29375 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.44 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | QPCT | Q16769 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30741761 | 0.84 | HPGDS (0.50) | HPGDSCYP3A4CYP2D6CYP2E1CYP2A6 | |
| SCHEMBL28417084 | 0.84 | HPGDS (0.50) | HPGDSCYP3A4CYP2D6CYP2E1CYP2A6 | |
| SCHEMBL8862886 | 0.83 | HTT (0.41) | KDM4CKDM5AKDM5BMAPTNPC1 | |
| SCHEMBL8794954 | 0.83 | CYP11B1 (0.47) | CYP19A1CYP11B1CYP11B2KDM4CKDM5A | |
| SCHEMBL28422539 | 0.82 | HPGDS (0.49) | HPGDSCYP3A4CYP2D6CYP2E1CYP2A6 | |
| SCHEMBL28417071 | 0.82 | HPGDS (0.49) | HPGDSCYP3A4CYP2D6CYP2E1CYP2A6 | |
| SCHEMBL1187114 | 0.82 | KDM4E (0.50) | HPGDSCYP3A4CYP2D6CYP2E1CYP2A6 | |
| SCHEMBL5023714 | 0.82 | HPGDS (0.49) | HPGDSCYP3A4CYP2D6CYP2E1CYP2A6 | |
| SCHEMBL9598245 | 0.82 | CYP3A4 (0.51) | HPGDSCYP3A4CYP2D6CYP2E1CYP2A6 | |
| SCHEMBL6896976 | 0.79 | HPGDS (0.50) | HPGDSCYP3A4CYP2D6CYP2E1CYP2A6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105829317-B | Imidazopyrazines ketone derivatives | 默克专利股份公司 | 2019-03-29 | — | — | CN | disclosed |
| CN-106458988-A | Heterocyclyl-butanamide derivatives | 默克专利股份公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-105829317-A | Imidazopyrazinone derivatives | 默克专利股份公司 | 2016-08-03 | — | — | CN | disclosed |