Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 9/20 | 0.48 |
| ▸ | PPARD | Q03181 | 8/20 | 0.48 |
| ▸ | SLC16A3 | O15427 | 6/20 | 0.48 |
| ▸ | MCTS1 | Q9ULC4 | 3/20 | 0.48 |
| ▸ | SLC16A1 | P53985 | 5/20 | 0.48 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 3/20 | 0.45 |
| ▸ | PPARA | Q07869 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | THRA | P10827 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | RXRA | P19793 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Romazarit SCHEMBL43265 | 0.86 | ALDH1A1 (0.50) | PPARDSLC16A3MCTS1SLC16A1IKBKB | |
| SCHEMBL9831905 | 0.85 | NOTUM (0.44) | VDRPPARDSLC16A3MCTS1SLC16A1 | |
| Romazarit SCHEMBL3226211 | 0.85 | ALDH1A1 (0.49) | PPARDSLC16A3MCTS1SLC16A1IKBKB | |
| SCHEMBL9830223 | 0.79 | PPARD (0.50) | VDRPPARDSLC16A3MCTS1SLC16A1 | |
| SCHEMBL9831350 | 0.77 | PPARD (0.46) | VDRPPARDPPARGPPARAFFAR1 | |
| SCHEMBL9830285 | 0.77 | PPARD (0.65) | PPARDIKBKBPPARGPPARAFFAR1 | |
| SCHEMBL9833185 | 0.77 | IKBKB (0.50) | VDRPPARDIKBKBPPARGPPARA | |
| SCHEMBL9831640 | 0.76 | ALDH1A1 (0.49) | VDRPPARDSLC16A3MCTS1SLC16A1 | |
| SCHEMBL9830056 | 0.75 | PPARA (0.50) | PPARDSLC16A3MCTS1SLC16A1IKBKB | |
| Romazarit SCHEMBL9831287 | 0.75 | ALDH1A1 (0.48) | VDRPPARDSLC16A3MCTS1SLC16A1 |
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-0220573-B1 | HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-12-11 | — | — | EP | claimed |
| EP-0220573-B1 | HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-12-11 | — | — | EP | disclosed |
| US-4774253-A | ETHER,-ACIDS, ESTERS OR AMIDES | HOFFMANN-LA ROCHE INC. (US) | 1988-09-27 | — | — | US | disclosed |