Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 6/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1103915 | 0.85 | GAA (0.52) | GAAMCOLN3HTR7CA12CA1 | |
| SCHEMBL6095183 | 0.83 | HTR7 (0.46) | GAAMCOLN3ITGB1ITGA4NPC1 | |
| SCHEMBL7541463 | 0.74 | GAA (0.63) | GAAMCOLN3ITGB1ITGA4NPC1 | |
| SCHEMBL3409422 | 0.73 | GAA (0.43) | GAAMCOLN3HTR7CA12CA1 | |
| SCHEMBL3406334 | 0.70 | GAA (0.58) | GAAMCOLN3ITGB1ITGA4HTR7 | |
| SCHEMBL8394591 | 0.69 | GAA (0.52) | GAAMCOLN3HTR7CA12CA1 | |
| SCHEMBL13378315 | 0.69 | GAA (0.52) | GAAMCOLN3HTR7HTR6PSIP1 | |
| SCHEMBL29650172 | 0.68 | CA2 (0.41) | CA12CA1CA2CA5ACA7 | |
| SCHEMBL17443273 | 0.67 | ALDH1A1 (0.53) | CA12CA1CA2CA4CA7 | |
| SCHEMBL1103913 | 0.67 | GAA (0.48) | GAAMCOLN3HTR7HTR6PSIP1 |
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-2011096377-A1 | PYRROLE COMPOUND | 第一三共株式会社 (JP) | 2011-08-11 | — | — | WO | disclosed |