Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | ME2 | P23368 | 1/20 | 0.45 |
| ▸ | ME1 | P48163 | 1/20 | 0.45 |
| ▸ | ME3 | Q16798 | 1/20 | 0.45 |
| ▸ | LIPE | Q05469 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22605498 | 0.77 | HDAC1 (0.44) | HRH3ME2ME1ME3LIPE | |
| SCHEMBL22605593 | 0.76 | OPRM1 (0.51) | HRH3ME2ME1ME3LIPE | |
| SCHEMBL28537765 | 0.76 | OXTR (0.47) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL15933941 | 0.76 | GPBAR1 (0.59) | CYP2D6CYP2C9POLB | |
| SCHEMBL28533101 | 0.76 | GPBAR1 (0.39) | L3MBTL1 | |
| SCHEMBL22605530 | 0.75 | HRH3 (0.43) | HRH3ME2ME1ME3LIPE | |
| SCHEMBL28540940 | 0.75 | HRH3 (0.43) | HRH3ME2ME1ME3LIPE | |
| SCHEMBL22605658 | 0.75 | HDAC1 (0.44) | HRH3ME2ME1ME3LIPE | |
| SCHEMBL22605639 | 0.75 | HRH3 (0.62) | HRH3ME2ME1ME3LIPE | |
| SCHEMBL22587942 | 0.74 | HRH3 (0.50) | HRH3ME2ME1ME3LIPE |
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-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 |
| 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 |