Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL7410701 | 0.89 | TP53 (0.37) | MEN1KMT2APOLBALDH1A1MAPT | |
| SCHEMBL7409102 | 0.81 | F2 (0.48) | MEN1KMT2A | |
| SCHEMBL3238629 | 0.73 | F2 (0.46) | MEN1KMT2APOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL7374222 | 0.71 | TP53 (0.39) | MEN1KMT2APOLBALDH1A1KDM4E | |
| SCHEMBL7220914 | 0.71 | MEN1 (0.48) | MEN1KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8014161 | 0.70 | ALDH1A1 (0.43) | MEN1KMT2APOLBALDH1A1KDM4E | |
| SCHEMBL7377928 | 0.70 | POLB (0.43) | MEN1KMT2APOLBALDH1A1KDM4E | |
| SCHEMBL3247710 | 0.68 | P2RX7 (0.43) | MEN1KMT2APOLBCYP1A2CYP2C9 | |
| SCHEMBL7456341 | 0.65 | TPSAB1 (0.48) | MEN1KMT2APOLBTP53 | |
| SCHEMBL5474694 | 0.64 | F2 (0.64) | — |
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 |