Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 4/20 | 0.37 |
| ▸ | JAK1 | P23458 | 4/20 | 0.37 |
| ▸ | JAK3 | P52333 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3238629 | 0.85 | F2 (0.46) | TP53MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL7410701 | 0.81 | TP53 (0.37) | TP53MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL7374219 | 0.76 | F2 (0.53) | — | |
| SCHEMBL3242831 | 0.74 | F2 (0.44) | TP53POLBGAAPTGS2TSHR | |
| SCHEMBL7216462 | 0.73 | F2 (0.45) | ALOX15 | |
| SCHEMBL7409106 | 0.71 | MEN1 (0.41) | TP53MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL7402339 | 0.67 | GAA (0.46) | TP53MEN1KMT2AALDH1A1POLB | |
| SCHEMBL7995911 | 0.67 | TP53 (0.40) | TP53MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL7165002 | 0.63 | CXCL8 (0.70) | ALDH1A1GAAMAPTSMN1; SMN2PTGS2 | |
| SCHEMBL7404619 | 0.63 | GAA (0.46) | TP53MEN1KMT2AALDH1A1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1079835-A4 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-10-29 | — | — | EP | disclosed |
| EP-1079835-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-03-07 | — | — | EP | disclosed |
| US-6147078-A | SERINE PROTEASE INHIBITOR | MERCK & CO., INC. (US) | 2000-11-14 | — | — | US | disclosed |
| WO-1999059591-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1999-11-25 | — | — | WO | disclosed |