Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19077820 | 0.93 | SMN1; SMN2 (0.39) | ITGB3ITGA2BTNFHSD17B10SMN1; SMN2 | |
| SCHEMBL17308685 | 0.86 | SLC7A5 (0.47) | SLC7A5CYP3A4HSD17B10KDM4EMAPT | |
| SCHEMBL17308667 | 0.85 | SLC6A5 (0.44) | ITGB3ITGA2B | |
| SCHEMBL19077817 | 0.83 | TNF (0.37) | ITGB3ITGA2BTNFHSD17B10SMN1; SMN2 | |
| SCHEMBL19085586 | 0.81 | SLC7A5 (0.41) | SLC7A5CYP3A4MAPTBLMALDH1A1 | |
| SCHEMBL17308626 | 0.79 | SMN1; SMN2 (0.36) | HSD17B10SMN1; SMN2MAPTITGB2ICAM1 | |
| SCHEMBL19996543 | 0.79 | SMN1; SMN2 (0.36) | HSD17B10SMN1; SMN2MAPTITGB2ICAM1 | |
| SCHEMBL17293237 | 0.78 | SLC7A5 (0.43) | SLC7A5CYP3A4HSD17B10KDM4EMAPT | |
| SCHEMBL17308624 | 0.78 | SLC7A5 (0.43) | SLC7A5CYP3A4HSD17B10KDM4EMAPT | |
| SCHEMBL17308684 | 0.78 | SLC7A5 (0.43) | SLC7A5CYP3A4HSD17B10KDM4EMAPT |
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 |