Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 11/20 | 0.49 |
| ▸ | SLC16A1 | P53985 | 7/20 | 0.49 |
| ▸ | MCTS1 | Q9ULC4 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.41 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10745283 | 0.84 | KDM4E (0.52) | KDM4EALDH1A1HPGDMAP4K4CYP1A2 | |
| SCHEMBL9831115 | 0.78 | NOTUM (0.55) | SLC16A3SLC16A1MCTS1KDM4EALDH1A1 | |
| Romazarit SCHEMBL43265 | 0.77 | ALDH1A1 (0.50) | SLC16A3SLC16A1MCTS1KDM4EALDH1A1 | |
| SCHEMBL9830013 | 0.77 | PPARA (0.57) | SLC16A3SLC16A1MCTS1KDM4EPPARA | |
| Romazarit SCHEMBL3226211 | 0.76 | ALDH1A1 (0.49) | SLC16A3SLC16A1MCTS1KDM4EALDH1A1 | |
| SCHEMBL9831414 | 0.75 | SMN1; SMN2 (0.56) | SLC16A3SLC16A1MCTS1ALDH1A1HPGD | |
| SCHEMBL9830073 | 0.75 | SLC16A3 (0.55) | SLC16A3SLC16A1MCTS1PPARA | |
| SCHEMBL9831297 | 0.75 | SLC16A3 (0.47) | SLC16A3SLC16A1MCTS1ALDH1A1MEN1 | |
| Clobuzarit SCHEMBL187456 | 0.74 | SLC16A3 (0.62) | SLC16A3SLC16A1MCTS1KDM4EALDH1A1 | |
| SCHEMBL9832665 | 0.72 | ALDH1A1 (0.53) | KDM4EALDH1A1HPGDMAP4K4 |
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 |