Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL7366760 | 0.87 | DDR1 (0.40) | DDR1RIPK1HSD11B1 | |
| SCHEMBL7365535 | 0.78 | EPHX2 (0.51) | EPHX2MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7367627 | 0.75 | LMNA (0.43) | MEN1KMT2ADDR1RIPK1 | |
| SCHEMBL28216423 | 0.74 | KMT2A (0.40) | EPHX2MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14667166 | 0.73 | RIPK1 (0.43) | EPHX2MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7367345 | 0.72 | DDR1 (0.40) | DDR1RIPK1 | |
| SCHEMBL8684987 | 0.71 | CES1 (0.46) | CYP1A2CYP3A4CYP2C19RIPK1 | |
| SCHEMBL23344785 | 0.69 | CTSB (0.38) | EPHX2MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30569427 | 0.68 | CYP2D6 (0.45) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL506623 | 0.68 | CYP2D6 (0.45) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 |
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-1259506-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2002-11-27 | — | — | EP | disclosed |
| US-6387911-B1 | Pyrazinone thrombin inhibitors | MERCK & CO., INC. | 2002-05-14 | — | — | US | disclosed |
| WO-2001038323-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2001-05-31 | — | — | WO | disclosed |