Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 11/20 | 0.55 |
| ▸ | SLC16A1 | P53985 | 7/20 | 0.55 |
| ▸ | MCTS1 | Q9ULC4 | 6/20 | 0.55 |
| ▸ | PPARA | Q07869 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5856115 | 0.84 | PPARA (0.53) | SLC16A3SLC16A1MCTS1PPARAPPARG | |
| SCHEMBL9829994 | 0.78 | SLC16A3 (0.49) | SLC16A3SLC16A1MCTS1PPARAPPARG | |
| SCHEMBL9830013 | 0.77 | PPARA (0.57) | SLC16A3SLC16A1MCTS1PPARAPPARG | |
| Romazarit SCHEMBL43265 | 0.77 | ALDH1A1 (0.50) | SLC16A3SLC16A1MCTS1PPARAPPARG | |
| Romazarit SCHEMBL3226211 | 0.76 | ALDH1A1 (0.49) | SLC16A3SLC16A1MCTS1PPARAPPARG | |
| SCHEMBL9830357 | 0.75 | SLC16A3 (0.49) | SLC16A3SLC16A1MCTS1PPARA | |
| SCHEMBL9832695 | 0.75 | SLC16A3 (0.58) | SLC16A3SLC16A1MCTS1PPARAPPARG | |
| SCHEMBL9831297 | 0.75 | SLC16A3 (0.47) | SLC16A3SLC16A1MCTS1PPARAPPARG | |
| Clobuzarit SCHEMBL187456 | 0.74 | SLC16A3 (0.62) | SLC16A3SLC16A1MCTS1PPARAPPARG | |
| SCHEMBL5858411 | 0.73 | PPARA (0.42) | PPARAPPARGHDAC1HDAC8HDAC6 |
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 5 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 |
| US-4774253-A | ETHER,-ACIDS, ESTERS OR AMIDES | HOFFMANN-LA ROCHE INC. (US) | 1988-09-27 | — | — | US | 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 |
| EP-0220573-A1 | Heterocyclic compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1987-05-06 | — | — | EP | disclosed |