Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | CPT2 | P23786 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23865593 | 1.00 | ALDH1A1 (0.47) | ALDH1A1FFAR1CPT2TDP1FOLH1 | |
| SCHEMBL8197326 | 0.97 | — | — | |
| SCHEMBL6520967 | 0.88 | — | — | |
| SCHEMBL5915749 | 0.85 | ALDH1A1 (0.64) | ALDH1A1FFAR1CPT2TDP1 | |
| SCHEMBL2943010 | 0.85 | ALDH1A1 (0.64) | ALDH1A1FFAR1CPT2TDP1 | |
| SCHEMBL3040312 | 0.85 | ALDH1A1 (0.64) | ALDH1A1FFAR1CPT2TDP1 | |
| SCHEMBL2945318 | 0.85 | ALDH1A1 (0.64) | ALDH1A1FFAR1CPT2TDP1 | |
| SCHEMBL20106526 | 0.84 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL1269985 | 0.82 | ALDH1A1 (0.69) | ALDH1A1FFAR1CPT2TDP1 | |
| SCHEMBL5512262 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0755922-B1 | 22-THIAVITAMIN D3 DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2000-08-16 | — | — | EP | disclosed |
| US-5824811-A | 22-Thiavitamin D3 derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1998-10-20 | — | — | US | disclosed |
| EP-0755922-A1 | 22-THIAVITAMIN D 3 DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1997-01-29 | — | — | EP | disclosed |