Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.48 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7366762 | 0.87 | RIPK1 (0.50) | RIPK1DDR1 | |
| SCHEMBL5006708 | 0.80 | RIPK1 (0.41) | EPHX2RIPK1MTNR1AMTNR1BP2RX7 | |
| SCHEMBL5003176 | 0.78 | RIPK1 (0.39) | EPHX2RIPK1DDR1MTNR1AMTNR1B | |
| SCHEMBL7365533 | 0.78 | EPHX2 (0.42) | EPHX2RIPK1DDR1ADRA1DKMT2A | |
| SCHEMBL4471943 | 0.78 | KDM4A (0.51) | EPHX2KMT2AMEN1CYP1A2CYP3A4 | |
| SCHEMBL2778215 | 0.76 | RIPK1 (0.46) | EPHX2RIPK1KMT2AMEN1MTNR1A | |
| SCHEMBL8061739 | 0.76 | TSHR (0.52) | RIPK1KMT2AMEN1CYP2D6KDM4E | |
| SCHEMBL5913900 | 0.74 | HPGD (0.49) | EPHX2RIPK1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL394807 | 0.74 | RIPK1 (0.65) | RIPK1KMT2AALDH1A1P2RX7 | |
| SCHEMBL1328998 | 0.74 | CYP1A2 (0.46) | EPHX2RIPK1KMT2AMEN1CYP1A2 |
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 |