Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.50 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 14/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 13/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29213353 | 1.00 | ITGA4 (0.50) | ITGA4ITGB7CD274PDCD1OPRK1 | |
| SCHEMBL29213356 | 1.00 | ITGA4 (0.50) | ITGA4ITGB7CD274PDCD1OPRK1 | |
| SCHEMBL29213270 | 0.88 | ALDH1A1 (0.56) | ITGA4ITGB7CD274PDCD1ALDH1A1 | |
| SCHEMBL29213274 | 0.88 | ALDH1A1 (0.56) | ITGA4ITGB7CD274PDCD1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29213454 | 0.88 | ITGA4 (0.61) | ITGA4ITGB7CD274PDCD1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29213451 | 0.88 | ITGA4 (0.61) | ITGA4ITGB7CD274PDCD1ALDH1A1 | |
| SCHEMBL29213338 | 0.87 | ITGA4 (0.49) | ITGA4ITGB7CD274PDCD1ALDH1A1 | |
| SCHEMBL29213342 | 0.87 | ITGA4 (0.49) | ITGA4ITGB7CD274PDCD1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29213457 | 0.86 | ITGA4 (0.48) | ITGA4ITGB7CD274PDCD1ALDH1A1 | |
| SCHEMBL29213425 | 0.85 | PDCD1 (0.41) | ITGA4ITGB7CD274PDCD1 |
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-118019533-A | 2-Amino-5, 5-dimethylhexanoic acid derivatives as sortilin modulators for the treatment of central nervous system diseases | 因苏森斯有限公司 | 2024-05-10 | — | — | CN | claimed |
| CN-118019533-A | 2-Amino-5, 5-dimethylhexanoic acid derivatives as sortilin modulators for the treatment of central nervous system diseases | 因苏森斯有限公司 | 2024-05-10 | — | — | CN | disclosed |