Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 3/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 3/20 | 0.39 |
| ▸ | GRIA3 | P42263 | 3/20 | 0.39 |
| ▸ | GRIA4 | P48058 | 3/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.39 |
| ▸ | GRIK3 | Q13003 | 3/20 | 0.39 |
| ▸ | GRIK4 | Q16099 | 3/20 | 0.39 |
| ▸ | GRIK5 | Q16478 | 3/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3201926 | 0.74 | GRIK1 (0.42) | GRIK1GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL30516396 | 0.72 | GRIA1 (0.42) | GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL4645055 | 0.69 | TUBB4A (0.54) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL28845189 | 0.69 | AKR1B1 (0.52) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL28150796 | 0.68 | AKR1B1 (0.51) | GRIK1GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL15167460 | 0.67 | TUBB4A (0.57) | GRIK1GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL28157618 | 0.67 | TTR (0.49) | GRIK1GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL2336592 | 0.66 | COMT (0.53) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL27535980 | 0.66 | ALDH1A1 (0.49) | GRIK1GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL27911610 | 0.65 | COMT (0.52) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B |
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-108794449-B | Synthetic method of deuterated fumaric acid vorofacian metabolite | 广东东阳光药业有限公司 | 2023-08-04 | — | — | CN | claimed |
| CN-108794449-B | Synthetic method of deuterated fumaric acid vorofacian metabolite | 广东东阳光药业有限公司 | 2023-08-04 | — | — | CN | disclosed |