Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.36 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.33 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 2/20 | 0.33 |
| ▸ | ACE | P12821 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | FPGS | Q05932 | 1/20 | 0.32 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.32 |
| ▸ | ITGAL | P20701 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL19077822 | 0.90 | ITGB3 (0.39) | SLC15A2ITGB3ITGA2BSLC6A5PIN1 | |
| SCHEMBL19077821 | 0.83 | SMN1; SMN2 (0.44) | ITGB3ITGA2BACEITGB2ICAM1 | |
| SCHEMBL19077825 | 0.82 | SLC6A5 (0.49) | ITGB3ITGA2BSLC6A5PIN1 | |
| SCHEMBL17308665 | 0.82 | ACE (0.38) | ACE | |
| SCHEMBL17308671 | 0.82 | ACE (0.38) | ACE | |
| SCHEMBL17308625 | 0.80 | SMN1; SMN2 (0.37) | ITGB2ICAM1ITGALSMN1; SMN2CYP2C19 | |
| SCHEMBL17308622 | 0.79 | SLC15A2 (0.40) | SLC15A2ITGB3ITGA2BSLC6A5P2RY14 | |
| SCHEMBL5598750 | 0.76 | GABRR1 (0.48) | SLC15A2ITGB3ITGA2BSLC6A5P2RY14 | |
| SCHEMBL17292898 | 0.75 | SLC7A5 (0.49) | CYP2C19HSD17B10 | |
| SCHEMBL17293244 | 0.75 | SLC7A5 (0.49) | CYP2C19HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015181507-A1 | NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF | TETRAHEDRON (FR) | 2015-12-03 | — | — | WO | disclosed |