Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7555716 | 0.88 | CYP1A2 (0.43) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7817035 | 0.77 | F2 (0.47) | CYP2D6ADORA2BHTTSLC6A2SLC6A4 | |
| SCHEMBL7407096 | 0.69 | F2 (0.48) | MAPK1 | |
| SCHEMBL7405378 | 0.69 | KMT2A (0.48) | CYP1A2CYP2C19PKMPOLBLMNA | |
| SCHEMBL7824393 | 0.67 | MAPT (0.46) | HTTPOLBMEN1KMT2ATSHR | |
| SCHEMBL4991673 | 0.66 | SMN1; SMN2 (0.73) | MAPK1LMNAMEN1KMT2ATP53 | |
| SCHEMBL25201048 | 0.65 | TAAR1 (0.67) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11745127 | 0.65 | TAAR1 (0.67) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL26238861 | 0.65 | TAAR1 (0.67) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7817431 | 0.64 | F2 (0.61) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900207-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |