Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LGALS8 | O00214 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | LGALS3 | P17931 | 5/20 | 0.49 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.49 |
| ▸ | LGALS7; LGALS7B | P47929 | 1/20 | 0.49 |
| ▸ | CD69 | Q07108 | 1/20 | 0.48 |
| ▸ | LGALS9 | O00182 | 1/20 | 0.48 |
| ▸ | LGALS4 | P56470 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7147918 | 1.00 | LGALS8 (0.55) | LGALS8ALDH1A1THRBMAPK1LGALS3 | |
| SCHEMBL7147921 | 1.00 | LGALS8 (0.55) | LGALS8ALDH1A1THRBMAPK1LGALS3 | |
| SCHEMBL19503330 | 1.00 | LGALS8 (0.55) | LGALS8ALDH1A1THRBMAPK1LGALS3 | |
| SCHEMBL20121276 | 0.89 | LGALS3 (0.58) | LGALS8ALDH1A1THRBMAPK1LGALS3 | |
| SCHEMBL20122239 | 0.89 | LGALS3 (0.58) | LGALS8ALDH1A1THRBMAPK1LGALS3 | |
| SCHEMBL15333778 | 0.89 | LGALS3 (0.58) | LGALS8ALDH1A1THRBMAPK1LGALS3 | |
| SCHEMBL16476748 | 0.88 | LGALS3 (0.54) | LGALS8ALDH1A1THRBMAPK1LGALS3 | |
| SCHEMBL7153589 | 0.88 | LGALS3 (0.54) | LGALS8ALDH1A1THRBMAPK1LGALS3 | |
| SCHEMBL16476751 | 0.88 | LGALS3 (0.54) | LGALS8ALDH1A1THRBMAPK1LGALS3 | |
| SCHEMBL7153592 | 0.88 | LGALS3 (0.54) | LGALS8ALDH1A1THRBMAPK1LGALS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-10482997-B2 | Method for determining three-dimensional structures of dynamic molecules | CONFORMETRIX LIMITED (GB) | 2019-11-19 | — | — | US | disclosed |