Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | GRM6 | O15303 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23970772 | 0.81 | TDP1 (0.39) | ALDH1A1KDM4ENPSR1MAPK1MTNR1A | |
| SCHEMBL23970775 | 0.78 | ATR (0.43) | ALDH1A1KDM4EATRGRM6MTNR1A | |
| SCHEMBL19778003 | 0.71 | ATR (0.47) | ALDH1A1KDM4EGLAGAAMAPT | |
| SCHEMBL1905153 | 0.71 | CA1 (0.44) | ALDH1A1KDM4EGLAGAAMAPT | |
| SCHEMBL27667475 | 0.70 | ATR (0.43) | ALDH1A1KDM4EATRMTNR1A | |
| SCHEMBL3466498 | 0.70 | METAP1 (0.38) | ALDH1A1KDM4EGLAGAAMAPT | |
| SCHEMBL18628953 | 0.69 | MAPT (0.37) | ALDH1A1KDM4EGAAMAPTHPGD | |
| SCHEMBL25652150 | 0.69 | KDM4E (0.40) | ALDH1A1KDM4EHPGD | |
| SCHEMBL25652168 | 0.69 | CA12 (0.38) | ALDH1A1KDM4EHPGDNPSR1MAPK1 | |
| SCHEMBL6531677 | 0.69 | MAOA (0.33) | ALDH1A1KDM4EMAPTNPSR1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | ALDH1A1 2537/4885KDM4E 936/4885GLA 3177/4885 |
“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.