Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7221018 | 0.86 | KDM4E (0.38) | BCL2MCL1PTGS2PTGS1POLB | |
| Hydrogen Peroxide SCHEMBL9644435 | 0.69 | GABRA1 (0.56) | BCL2MCL1GABRA1GABRB1LMNA | |
| SCHEMBL7221093 | 0.67 | MEN1 (0.40) | LMNAPOLBCYP3A4HPGD | |
| SCHEMBL3683159 | 0.67 | GABRA1 (0.48) | BCL2MCL1GABRA1GABRB1LMNA | |
| SCHEMBL20893246 | 0.67 | BCL2 (0.40) | BCL2MCL1GABRA1GABRB1 | |
| SCHEMBL7449635 | 0.66 | KDM4E (0.43) | BCL2MCL1GABRA1GABRB1LMNA | |
| SCHEMBL23198665 | 0.66 | GABRA1 (0.62) | BCL2MCL1GABRA1GABRB1LMNA | |
| SCHEMBL1343676 | 0.66 | PTGS2 (0.50) | GABRA1GABRB1PTGS2LMNAPTGS1 | |
| SCHEMBL30336636 | 0.66 | GABRA1 (0.62) | BCL2MCL1GABRA1GABRB1LMNA | |
| SCHEMBL23198660 | 0.66 | GABRA1 (0.53) | BCL2MCL1GABRA1GABRB1EGFR |
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 |
|---|---|---|---|---|---|---|---|
| US-6610692-B1 | Anticoagulants | MERCK & CO., INC. | 2003-08-26 | — | — | US | disclosed |
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |