Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | GRM6 | O15303 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1811614 | 0.85 | NR4A2 (0.41) | MEN1KMT2AATMKDM4EALDH1A1 | |
| SCHEMBL20723148 | 0.82 | TSHR (0.50) | CYP2C9CYP2C19NPSR1MEN1KMT2A | |
| SCHEMBL27379944 | 0.81 | USP30 (0.40) | USP30AAK1PRMT5WDR77BACE1 | |
| SCHEMBL30755289 | 0.81 | USP30 (0.40) | USP30AAK1PRMT5WDR77BACE1 | |
| SCHEMBL3859397 | 0.80 | ALDH1A1 (0.47) | CYP2C9MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL31689032 | 0.79 | LIPE (0.37) | USP30AAK1PRMT5WDR77DGAT1 | |
| SCHEMBL6240652 | 0.79 | LIPE (0.37) | USP30AAK1PRMT5WDR77DGAT1 | |
| SCHEMBL2362943 | 0.78 | AAK1 (0.45) | USP30AAK1PRMT5WDR77BACE1 | |
| SCHEMBL1675741 | 0.78 | AAK1 (0.42) | USP30AAK1PRMT5WDR77ATM | |
| SCHEMBL5840471 | 0.74 | USP30 (0.35) | USP30AAK1PRMT5WDR77BACE1 |
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-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |