Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7365159 | 0.87 | KMT2A (0.44) | TSHRKMT2AALDH1A1HPGDKDM4E | |
| SCHEMBL7366674 | 0.76 | RIPK1 (0.45) | RIPK1TSHRKMT2AALDH1A1HPGD | |
| SCHEMBL7367009 | 0.76 | KMT2A (0.45) | RIPK1TSHRKMT2AALDH1A1HPGD | |
| SCHEMBL7366762 | 0.73 | RIPK1 (0.50) | RIPK1 | |
| SCHEMBL7364123 | 0.72 | ALDH1A1 (0.38) | ALDH1A1KDM4ELMNADHODHGAA | |
| SCHEMBL7365535 | 0.72 | EPHX2 (0.51) | RIPK1KMT2AALDH1A1KDM4ERCE1 | |
| SCHEMBL5913900 | 0.70 | HPGD (0.49) | RIPK1ALDH1A1HPGDKDM4ERCE1 | |
| SCHEMBL13164189 | 0.70 | ALDH1A1 (0.53) | RIPK1TSHRKMT2AALDH1A1HPGD | |
| SCHEMBL8769688 | 0.69 | MAPT (0.41) | TSHRKMT2AALDH1A1KDM4ELMNA | |
| SCHEMBL2778215 | 0.69 | RIPK1 (0.46) | RIPK1KMT2AALDH1A1HPGDLMNA |
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 |