Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 7/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7366674 | 0.86 | RIPK1 (0.45) | KMT2AHPGDRIPK1NPC1RAB9A | |
| SCHEMBL7367629 | 0.79 | LMNA (0.50) | KMT2AHPGDRIPK1MEN1ALDH1A1 | |
| SCHEMBL7365159 | 0.78 | KMT2A (0.44) | KMT2AHPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7366671 | 0.76 | RIPK1 (0.41) | KMT2AHPGDRIPK1SMN1; SMN2TSHR | |
| SCHEMBL13164189 | 0.76 | ALDH1A1 (0.53) | KMT2AHPGDRIPK1TSHRALDH1A1 | |
| SCHEMBL8061739 | 0.74 | TSHR (0.52) | KMT2ARIPK1RAB9ATSHRMEN1 | |
| SCHEMBL2778215 | 0.74 | RIPK1 (0.46) | KMT2AHPGDRIPK1NPC1RAB9A | |
| SCHEMBL2384905 | 0.74 | RIPK1 (0.43) | KMT2AHPGDRIPK1NPC1RAB9A | |
| SCHEMBL7367349 | 0.73 | RIPK1 (0.47) | HPGDRIPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL18708227 | 0.73 | RIPK1 (0.45) | KMT2AHPGDRIPK1NPC1RAB9A |
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 |