Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.45 |
| ▸ | SCN1A | P35498 | 2/20 | 0.45 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 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 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL22605617 | 0.83 | OXTR (0.47) | OXTRHDAC1HDAC6HDAC10HDAC8 | |
| SCHEMBL22588029 | 0.81 | CALCRL (0.54) | CTSS | |
| SCHEMBL22605593 | 0.78 | OPRM1 (0.51) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL22605806 | 0.77 | HRH3 (0.43) | OXTRHDAC1HDAC6HDAC10HDAC8 | |
| SCHEMBL22605563 | 0.76 | HRH3 (0.47) | OXTRHDAC1HDAC6HDAC10HDAC8 | |
| SCHEMBL22605658 | 0.76 | HDAC1 (0.44) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL22605530 | 0.76 | HRH3 (0.43) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL22605498 | 0.76 | HDAC1 (0.44) | HDAC1HDAC6HDAC10HDAC8HRH3 | |
| SCHEMBL22605804 | 0.75 | OXTR (0.42) | OXTRHDAC1HDAC6HRH3ME2 | |
| SCHEMBL22587942 | 0.75 | HRH3 (0.50) | HDAC1HDAC6HDAC10HDAC8HRH3 |
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-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 |