Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 4/20 | 0.58 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 6/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL22098411 | 1.00 | CYP4F2 (0.58) | CYP4F2CYP4A11TDP1DGAT1ACHE | |
| SCHEMBL23309276 | 1.00 | CYP4F2 (0.58) | CYP4F2CYP4A11TDP1DGAT1ACHE | |
| SCHEMBL46332 | 0.92 | CYP4F2 (0.53) | CYP4F2CYP4A11TDP1DGAT1 | |
| SCHEMBL23970496 | 0.80 | CYP4F2 (0.39) | CYP4F2CYP4A11DGAT1CA12CA1 | |
| SCHEMBL19889524 | 0.78 | CYP4F2 (0.46) | CYP4F2CYP4A11TDP1DGAT1 | |
| SCHEMBL28964602 | 0.76 | TDP1 (0.46) | CYP4F2CYP4A11TDP1DGAT1ACHE | |
| SCHEMBL2529567 | 0.75 | CYP4F2 (0.44) | CYP4F2CYP4A11TDP1ACHEGAA | |
| SCHEMBL21242384 | 0.75 | CYP4F2 (0.44) | CYP4F2CYP4A11TDP1ACHEGAA | |
| SCHEMBL2529655 | 0.75 | CYP4F2 (0.44) | CYP4F2CYP4A11TDP1ACHEGAA | |
| SCHEMBL8401052 | 0.75 | CYP4F2 (0.44) | CYP4F2CYP4A11TDP1ACHEGAA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |