Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.49 |
| ▸ | ATXN2 | Q99700 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ACACB | O00763 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL614422 | 0.91 | ENPP2 (0.57) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL28379028 | 0.90 | ATXN2 (0.56) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL16144658 | 0.88 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL28384503 | 0.87 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL15268978 | 0.86 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL10153538 | 0.86 | MEN1 (0.54) | CYP2C19ENPP2ATXN2MEN1KMT2A | |
| SCHEMBL2727354 | 0.85 | CYP3A4 (0.58) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL16678836 | 0.84 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL12683551 | 0.83 | ENPP2 (0.56) | CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9 | |
| Oxalic Acid SCHEMBL25382875 | 0.83 | MEN1 (0.51) | CYP2C19ENPP2ATXN2MEN1KMT2A |
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 | CYP3A4 3493/4885CYP2D6 3315/4885CYP1A2 3908/4885 |
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | PADI4, PADI2, PADI1 | CYP3A4 3493/4885CYP2D6 3315/4885CYP1A2 3908/4885 |
“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.