Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 5/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.38 |
| ▸ | JUN | P05412 | 5/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 5/20 | 0.36 |
| ▸ | RELA | Q04206 | 5/20 | 0.36 |
| ▸ | FOS | P01100 | 4/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | TKT | P29401 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE11A | Q9HCR9 | 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 | |
|---|---|---|---|---|
| SCHEMBL23970518 | 0.75 | TDP1 (0.39) | RXRANR1H2NR1H3TDP1ALDH1A1 | |
| SCHEMBL30159250 | 0.75 | TDP1 (0.39) | RXRANR1H2NR1H3TDP1ALDH1A1 | |
| SCHEMBL23971334 | 0.75 | TDP1 (0.37) | RXRANR1H2NR1H3TDP1KMT2A | |
| SCHEMBL23970627 | 0.74 | TDP1 (0.38) | RXRANR1H2NR1H3TDP1KMT2A | |
| SCHEMBL30850136 | 0.74 | TDP1 (0.38) | RXRANR1H2NR1H3TDP1KMT2A | |
| SCHEMBL23970516 | 0.71 | TDP1 (0.38) | RXRANR1H2NR1H3TDP1ALDH1A1 | |
| SCHEMBL23971080 | 0.70 | TDP1 (0.39) | NR1H2TDP1ALDH1A1KDM4ESSTR4 | |
| SCHEMBL30410313 | 0.70 | TDP1 (0.39) | NR1H2TDP1ALDH1A1KDM4ESSTR4 | |
| SCHEMBL23971276 | 0.70 | TDP1 (0.39) | NR1H2TDP1ALDH1A1KDM4ESSTR4 | |
| SCHEMBL23970756 | 0.70 | TDP1 (0.36) | RXRANR1H2NR1H3TDP1ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11976083-B2 | Inhibitors of peptidylarginine deiminases | GILEAD SCIENCES, INC. (US) | 2024-05-07 | — | — | US | disclosed |
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| EP-4143189-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2023-03-08 | — | — | EP | disclosed |
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. | 2023-01-05 | — | — | US | 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 |
| 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 (2 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-11976083-B2 | Inhibitors of peptidylarginine deiminases | PADI4, PADI2, PADI1 | RXRA 3649/4885NR1H2 2698/4885NR1H3 2309/4885 |
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | PADI4, PADI2, PADI1 | RXRA 3649/4885NR1H2 2698/4885NR1H3 2309/4885 |
“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.