Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 1/20 | 0.47 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.40 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.40 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.40 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.40 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4471943 | 0.82 | KDM4A (0.51) | KCNA5KDM4ACA12CA1CA7 | |
| SCHEMBL30159605 | 0.80 | KCNA5 (0.56) | KCNA5KDM4ACA12CA1CA7 | |
| SCHEMBL8018113 | 0.80 | KCNA5 (0.56) | KCNA5KDM4ACA12CA1CA7 | |
| SCHEMBL20380317 | 0.77 | LMNA (0.59) | KCNA5KDM4ALMNAPOLBEPHX2 | |
| SCHEMBL4590703 | 0.76 | RIPK1 (0.60) | KCNA5KDM4ALMNACTSSCTSK | |
| SCHEMBL7654695 | 0.76 | KCNA5 (0.54) | KCNA5KDM4ACA12CA1CA7 | |
| SCHEMBL10165113 | 0.75 | KCNA5 (0.46) | KCNA5KDM4ACA12CA1CA7 | |
| SCHEMBL10165120 | 0.75 | KCNA5 (0.46) | KCNA5KDM4ACA12CA1CA7 | |
| SCHEMBL5792738 | 0.75 | KCNA5 (0.52) | KCNA5KDM4ACA12CA1CA7 | |
| SCHEMBL30454240 | 0.75 | KCNA5 (0.52) | KCNA5KDM4ACA12CA1CA7 |
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 |