Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 9/20 | 0.45 |
| ▸ | CTSK | P43235 | 5/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.34 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.32 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28989480 | 1.00 | CTSC (0.45) | CTSCCTSKTLR7CCNT1CDK9 | |
| SCHEMBL28989483 | 1.00 | CTSC (0.45) | CTSCCTSKTLR7CCNT1CDK9 | |
| SCHEMBL28989774 | 0.89 | CTSC (0.55) | CTSCCTSK | |
| SCHEMBL28989775 | 0.89 | CTSC (0.55) | CTSCCTSK | |
| SCHEMBL28989665 | 0.84 | CTSC (0.51) | CTSCCTSKTLR7ALDH1A1MAPT | |
| SCHEMBL28989663 | 0.78 | CTSC (0.52) | CTSCCTSK | |
| SCHEMBL24981838 | 0.77 | CTSC (0.59) | CTSCCTSK | |
| SCHEMBL28989271 | 0.73 | CTSC (0.52) | CTSCCTSK | |
| SCHEMBL24981840 | 0.73 | CTSC (0.52) | CTSCCTSK | |
| SCHEMBL17485398 | 0.73 | CTSC (0.61) | CTSCCTSK |
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-115996923-A | Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof | 四川海思科制药有限公司 | 2023-04-21 | — | — | CN | disclosed |