Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | ME2 | P23368 | 1/20 | 0.43 |
| ▸ | ME1 | P48163 | 1/20 | 0.43 |
| ▸ | ME3 | Q16798 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | BRS3 | P32247 | 1/20 | 0.40 |
| ▸ | LIPE | Q05469 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22605593 | 0.91 | OPRM1 (0.51) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL22605658 | 0.86 | HDAC1 (0.44) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL22605530 | 0.85 | HRH3 (0.43) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL31285873 | 0.83 | HRH3 (0.41) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL22587846 | 0.83 | HRH3 (0.41) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL22587848 | 0.83 | HRH3 (0.41) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL22587984 | 0.82 | HRH3 (0.46) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL22605542 | 0.82 | OPRM1 (0.51) | HDAC1HDAC6HDAC10HDAC8OPRD1 | |
| SCHEMBL28540940 | 0.81 | HRH3 (0.43) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL22588029 | 0.80 | CALCRL (0.54) | — |
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-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 |