Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FEN1 | P39748 | 2/20 | 0.51 |
| ▸ | DAO | P14920 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 2/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8134451 | 0.88 | FEN1 (0.51) | FEN1DAOKDM4EALDH1A1MEN1 | |
| SCHEMBL8137886 | 0.82 | CHEK1 (0.56) | DAOALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL8127714 | 0.78 | HAVCR2 (0.54) | KDM4EALDH1A1GAAHTTMEN1 | |
| SCHEMBL29948249 | 0.78 | HAVCR2 (0.49) | FEN1KDM4EALDH1A1GLAGAA | |
| SCHEMBL8138057 | 0.78 | HAVCR2 (0.49) | FEN1KDM4EALDH1A1GLAGAA | |
| SCHEMBL8137545 | 0.77 | CA12 (0.57) | ALDH1A1HTTMEN1KMT2ALMNA | |
| SCHEMBL8129439 | 0.77 | HAVCR2 (0.39) | ALDH1A1 | |
| SCHEMBL8129245 | 0.76 | CHEK1 (0.41) | DAOKDM4EALDH1A1GAA | |
| SCHEMBL4249802 | 0.76 | PDE3B (0.49) | KDM4EALDH1A1LMNAHPGD | |
| SCHEMBL8127673 | 0.75 | CA12 (0.49) | KDM4EALDH1A1MEN1KMT2ALMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0760819-B1 | TRICYCLIC DICARBONYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2000-07-19 | — | — | EP | disclosed |
| US-5688803-A | BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |
| EP-0760819-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |
| WO-1995032205-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1995-11-30 | — | — | WO | disclosed |