Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.78 |
| ▸ | GLS | O94925 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28751304 | 0.95 | ACHE (0.77) | ACHEGLSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4245809 | 0.91 | ACHE (0.71) | ACHEGLSHTR1AHTR7HRH1 | |
| SCHEMBL6789650 | 0.90 | ACHE (0.69) | ACHEGLSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6950324 | 0.88 | ACHE (1.00) | ACHE | |
| SCHEMBL4632588 | 0.88 | ACHE (0.68) | ACHEGLSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7451684 | 0.87 | ACHE (0.62) | ACHEGLSCYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL11718055 | 0.87 | ACHE (0.66) | ACHEGLSHTR1AHTR7HRH1 | |
| SCHEMBL11710900 | 0.83 | ACHE (0.69) | ACHEHTR1AHTR7HRH1DRD3 | |
| SCHEMBL17117470 | 0.81 | ACHE (0.59) | ACHECYP1A2CYP2C9CYP2C19HTR1A | |
| SCHEMBL21609732 | 0.81 | ACHE (0.59) | ACHECYP1A2CYP2C9CYP2C19HTR1A |
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-0900207-B1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-11-21 | — | — | EP | disclosed |
| CN-1222909-A | Pyrazinone thrombin inhibitors | MERCK & CO INC (US) | 1999-07-14 | — | — | CN | disclosed |
| EP-0900207-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-03-10 | — | — | EP | disclosed |
| US-5866573-A | Pyrazinone thrombin inhibitors | MERCK & CO., INC. (US) | 1999-02-02 | — | — | US | disclosed |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |