Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLCG1 | P19174 | 1/20 | 0.39 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL22190472 | 0.87 | PLCG1 (0.38) | PLCG1MBOAT4CACNA1HCYP11B1ALOX5AP | |
| SCHEMBL17984746 | 0.79 | PLCG1 (0.41) | PLCG1MBOAT4CYP11B1HCRTR1HCRTR2 | |
| SCHEMBL28263826 | 0.77 | CYP11B1 (0.40) | PLCG1CYP11B1ALOX5APFEN1 | |
| SCHEMBL27858859 | 0.77 | CYP11B1 (0.40) | PLCG1CYP11B1ALOX5APFEN1HSD11B1 | |
| SCHEMBL10221817 | 0.77 | PKM (0.49) | PLCG1CYP11B1MEN1ALDH1A1MAPT | |
| SCHEMBL1061776 | 0.77 | CYP11B1 (0.40) | PLCG1CYP11B1KDM4EALDH1A1THRB | |
| SCHEMBL4992696 | 0.77 | NPC1 (0.44) | KDM4EMEN1USP2ALDH1A1HSP90AA1 | |
| SCHEMBL31068634 | 0.75 | CHRNB2 (0.43) | KDM4EMEN1USP2ALDH1A1HSP90AA1 | |
| SCHEMBL28455691 | 0.75 | AHR (0.39) | ALOX5AP | |
| SCHEMBL22552075 | 0.75 | PDE5A (0.43) | PLCG1CYP11B1KDM4EALDH1A1CTSS |
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 |