Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | VDR | P11473 | 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 | |
|---|---|---|---|---|
| SCHEMBL18159703 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ARVDR | |
| SCHEMBL7084623 | 0.81 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL4660992 | 0.74 | ALDH1A1 (0.41) | ALDH1A1ARVDR | |
| SCHEMBL635740 | 0.73 | — | — | |
| SCHEMBL22435188 | 0.73 | — | — | |
| SCHEMBL1720452 | 0.73 | — | — | |
| SCHEMBL707184 | 0.73 | — | — | |
| SCHEMBL30762299 | 0.73 | KDM4E (0.33) | ALDH1A1 | |
| SCHEMBL22019485 | 0.71 | — | — | |
| SCHEMBL3107552 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10800671-B2 | Functionalized solid particles for sequestering metal ions | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2020-10-13 | — | — | US | disclosed |
| US-20200156961-A1 | FUNCTIONALIZED SOLID PARTICLES FOR SEQUESTERING METAL IONS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2020-05-21 | — | — | US | disclosed |