Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | METAP2 | P50579 | 2/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7364820 | 0.81 | PLCG1 (0.43) | ALDH1A1SMN1; SMN2CYP11B1MPOHSD11B1 | |
| SCHEMBL7365422 | 0.78 | HPGD (0.40) | ALDH1A1CYP11B1MPOHSD11B1PLCG1 | |
| SCHEMBL7361660 | 0.77 | PLCG1 (0.43) | ALDH1A1SMN1; SMN2HSD11B1PLCG1SLC22A12 | |
| SCHEMBL30023811 | 0.74 | HSD17B10 (0.51) | ALDH1A1SMN1; SMN2MPOMEN1KMT2A | |
| SCHEMBL17010338 | 0.74 | HSD17B10 (0.51) | ALDH1A1SMN1; SMN2MPOMEN1KMT2A | |
| SCHEMBL24058185 | 0.74 | XDH (0.36) | ALDH1A1SMN1; SMN2CYP11B1MPOHSD11B1 | |
| SCHEMBL24056578 | 0.73 | AR (0.38) | CYP11B1MPOHSD11B1PLCG1SLC22A12 | |
| SCHEMBL12827744 | 0.72 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2MEN1KMT2AHPGD | |
| SCHEMBL6953445 | 0.72 | GRM5 (0.42) | ALDH1A1SMN1; SMN2CYP11B1MPOPLCG1 | |
| SCHEMBL3086616 | 0.71 | PLCG1 (0.44) | ALDH1A1SMN1; SMN2CYP11B1MPOPLCG1 |
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 |