Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1903645 | 0.75 | KDM4E (0.44) | KDM4EALDH1A1LMNAGLAGAA | |
| SCHEMBL2930119 | 0.71 | KDM4E (0.44) | KDM4EALDH1A1LMNAGLAGAA | |
| SCHEMBL1902536 | 0.66 | MAPT (0.35) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL3300311 | 0.64 | — | — | |
| SCHEMBL5955904 | 0.64 | IDO1 (0.34) | KDM4EALDH1A1LMNAGAAHPGD | |
| SCHEMBL26600930 | 0.62 | ALDH1A1 (0.44) | ALDH1A1LMNAHPGD | |
| SCHEMBL24156967 | 0.60 | MAPT (0.34) | — | |
| SCHEMBL13768213 | 0.60 | HPGD (0.60) | KDM4EALDH1A1LMNAGAAHPGD | |
| SCHEMBL25911404 | 0.58 | KDM4E (0.44) | KDM4EALDH1A1LMNAGLAGAA | |
| SCHEMBL31214264 | 0.58 | — | — |
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-1079835-A4 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-10-29 | — | — | EP | disclosed |
| EP-1079835-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999059591-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1999-11-25 | — | — | WO | disclosed |