Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16781686 | 0.86 | SLC6A2 (0.54) | SLC6A3SLC6A2SLC6A4KCNA5KCNE1 | |
| SCHEMBL27637745 | 0.82 | — | — | |
| SCHEMBL25706581 | 0.78 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4KCNA5KCNE1 | |
| SCHEMBL31482203 | 0.78 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4KCNA5KCNE1 | |
| SCHEMBL29217147 | 0.78 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4KCNA5KCNE1 | |
| SCHEMBL30360442 | 0.78 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4KCNA5KCNE1 | |
| SCHEMBL16169005 | 0.78 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4KCNA5KCNE1 | |
| SCHEMBL12361219 | 0.78 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4KCNA5KCNE1 | |
| SCHEMBL5508663 | 0.77 | SLC6A3 (0.56) | SLC6A3SLC6A2SLC6A4KCNA5KCNE1 | |
| SCHEMBL29467531 | 0.77 | — | — |
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-1189899-B1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2003-02-12 | — | — | EP | disclosed |
| EP-1189899-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2002-03-27 | — | — | EP | disclosed |
| WO-2000075134-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-12-14 | — | — | WO | disclosed |