Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10574839 | 0.76 | — | — | |
| SCHEMBL1906545 | 0.75 | — | — | |
| SCHEMBL2787025 | 0.72 | — | — | |
| SCHEMBL25644287 | 0.72 | L3MBTL1 (0.42) | L3MBTL1ALDH1A1KDM4EGAAPIK3C3 | |
| SCHEMBL6647148 | 0.72 | JAK2 (0.40) | ALDH1A1KDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2699935 | 0.71 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL2787049 | 0.69 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL14062242 | 0.69 | PIK3C3 (0.49) | PIK3C3DYRK1A | |
| SCHEMBL15753295 | 0.69 | GRM5 (0.48) | GDAROCK2KDM4EGAAPIK3C3 | |
| Acetamide SCHEMBL5790939 | 0.68 | GDA (0.37) | GDAALDH1A1KDM4ESMN1; SMN2RAB9A |
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 |