Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 5/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 6/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15026699 | 0.93 | TDP1 (0.41) | TDP1CYP4F2CYP4A11GAADGAT1 | |
| SCHEMBL21614510 | 0.85 | DGAT1 (0.39) | TDP1CYP4F2CYP4A11DGAT1MEN1 | |
| SCHEMBL20730298 | 0.84 | CYP4F2 (0.46) | TDP1CYP4F2CYP4A11GAAACHE | |
| SCHEMBL16163723 | 0.81 | MEN1 (0.42) | TDP1CYP4F2CYP4A11DGAT1MEN1 | |
| SCHEMBL23971392 | 0.80 | DGAT1 (0.31) | CYP4F2CYP4A11DGAT1L3MBTL1 | |
| SCHEMBL17746739 | 0.77 | CYP4F2 (0.61) | TDP1CYP4F2CYP4A11GAADGAT1 | |
| SCHEMBL22098411 | 0.76 | CYP4F2 (0.58) | TDP1CYP4F2CYP4A11GAADGAT1 | |
| SCHEMBL23309276 | 0.76 | CYP4F2 (0.58) | TDP1CYP4F2CYP4A11GAADGAT1 | |
| SCHEMBL23673782 | 0.76 | TDP1 (0.47) | TDP1CYP4F2CYP4A11GAAACHE | |
| SCHEMBL17941018 | 0.76 | TDP1 (0.47) | TDP1CYP4F2CYP4A11GAAACHE |
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 2 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 |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |