Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1G | O43497 | 1/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.44 |
| ▸ | ME2 | P23368 | 1/20 | 0.44 |
| ▸ | ME1 | P48163 | 1/20 | 0.44 |
| ▸ | ME3 | Q16798 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.40 |
| ▸ | LIPE | Q05469 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22605671 | 0.83 | HSD11B1 (0.48) | CACNA1GCACNA1HME2ME1ME3 | |
| SCHEMBL22605739 | 0.82 | CTSS (0.55) | CACNA1GCACNA1HME2ME1ME3 | |
| SCHEMBL22587922 | 0.82 | CACNA1G (0.51) | CACNA1GCACNA1HME2ME1ME3 | |
| SCHEMBL22605672 | 0.78 | JAK2 (0.50) | CACNA1GCACNA1HCYP3A4CYP2D6KDM4E | |
| SCHEMBL22605684 | 0.78 | OPRL1 (0.47) | CACNA1GCACNA1HHSD11B1HRH3CYP3A4 | |
| SCHEMBL22587888 | 0.76 | TNKS (0.49) | ME2ME1ME3HSD11B1HRH3 | |
| SCHEMBL22594434 | 0.76 | HSD11B1 (0.73) | HSD11B1CYP3A4ALDH1A1 | |
| SCHEMBL30317157 | 0.76 | HSD11B1 (0.73) | HSD11B1CYP3A4ALDH1A1 | |
| SCHEMBL22605543 | 0.74 | HSD11B1 (0.59) | HSD11B1HRH3ALDH1A1 | |
| SCHEMBL22587981 | 0.74 | ALDH1A1 (0.47) | CACNA1GCACNA1HKDM4EALDH1A1C5AR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111848598-B | Heterocyclic compound, application thereof and composition containing same | 健艾仕生物医药有限公司 | 2024-12-10 | — | — | CN | disclosed |
| CN-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 健艾仕生物医药有限公司 | 2020-10-30 | — | — | CN | disclosed |
| WO-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |
| WO-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |