Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 3/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | STS | P08842 | 1/20 | 0.38 |
| ▸ | YAP1 | P46937 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 3/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28935329 | 0.88 | TACR1 (0.43) | TACR1RORCGAATHRBSMN1; SMN2 | |
| SCHEMBL30987095 | 0.88 | RORC (0.42) | TACR1RORCOPRD1OPRK1GAA | |
| SCHEMBL28935330 | 0.88 | TACR1 (0.43) | TACR1RORCGAATHRBSMN1; SMN2 | |
| SCHEMBL30987124 | 0.87 | TACR1 (0.41) | TACR1SCD5RORCOPRD1OPRK1 | |
| SCHEMBL30987111 | 0.86 | RORC (0.41) | TACR1RORCGAATHRBSMN1; SMN2 | |
| SCHEMBL30987059 | 0.86 | RORC (0.41) | TACR1RORCOPRD1OPRK1GAA | |
| SCHEMBL30987132 | 0.86 | TACR1 (0.40) | TACR1RORCOPRD1OPRK1GAA | |
| SCHEMBL30987126 | 0.85 | TACR1 (0.43) | TACR1RORCGAATHRBSMN1; SMN2 | |
| SCHEMBL30987098 | 0.85 | TACR1 (0.38) | TACR1RORCGAATHRBSMN1; SMN2 | |
| SCHEMBL30987092 | 0.85 | TACR1 (0.40) | TACR1SCD5RORCOPRD1OPRK1 |
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-114106005-A | Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof | 四川海思科制药有限公司 | 2022-03-01 | — | — | CN | disclosed |