Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GCK | P35557 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL30159135 | 1.00 | TDP1 (0.36) | TDP1GCKCYP2C9CYP2C19NPSR1 | |
| SCHEMBL23971066 | 0.86 | TDP1 (0.35) | TDP1GCKCYP4F2CYP4A11KDM4E | |
| SCHEMBL23971073 | 0.86 | TDP1 (0.35) | TDP1GCKCYP4F2CYP4A11KDM4E | |
| SCHEMBL23971426 | 0.80 | PPARA (0.39) | TDP1CYP4F2CYP4A11 | |
| SCHEMBL30159187 | 0.80 | PPARA (0.39) | TDP1CYP4F2CYP4A11 | |
| SCHEMBL30159052 | 0.76 | TDP1 (0.36) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 | |
| SCHEMBL23970756 | 0.76 | TDP1 (0.36) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 | |
| SCHEMBL23971324 | 0.75 | TDP1 (0.35) | TDP1CYP2C9CYP2C19NPSR1CYP4F2 | |
| SCHEMBL23971108 | 0.75 | GCK (0.35) | TDP1GCKCYP4F2CYP4A11 | |
| SCHEMBL23970754 | 0.74 | TDP1 (0.36) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 |
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 4 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 |
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. | 2023-01-05 | — | — | US | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | PADI4, PADI2, PADI1 | TDP1 199/4885GCK 3494/4885CYP2C9 4403/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.