Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 7/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Methane SCHEMBL7366133 | 0.85 | ALDH1A1 (0.47) | KMT2AMEN1ALDH1A1PKMCYP1A2 | |
| SCHEMBL7366131 | 0.79 | KMT2A (0.49) | KMT2AMEN1ALDH1A1PKMCYP1A2 | |
| SCHEMBL11177842 | 0.76 | ALDH1A1 (0.49) | KMT2AMEN1ALDH1A1PKMCYP1A2 | |
| SCHEMBL928872 | 0.75 | MEN1 (0.50) | KMT2AMEN1ALDH1A1PKMCYP1A2 | |
| SCHEMBL29940891 | 0.73 | ALDH1A1 (0.54) | KMT2AMEN1ALDH1A1PKMTSHR | |
| SCHEMBL26963703 | 0.73 | ALDH1A1 (0.54) | KMT2AMEN1ALDH1A1PKMTSHR | |
| SCHEMBL930356 | 0.70 | ALDH1A1 (0.54) | KMT2AMEN1ALDH1A1PKMCYP1A2 | |
| SCHEMBL12725681 | 0.69 | MEN1 (0.57) | KMT2AMEN1ALDH1A1PKMCYP1A2 | |
| SCHEMBL25384515 | 0.68 | CASP3 (0.46) | KMT2AMEN1ALDH1A1PKMCYP1A2 | |
| SCHEMBL29843133 | 0.67 | ALDH1A1 (0.68) | KMT2AMEN1ALDH1A1PKMCYP1A2 |
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 |