Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.43 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 4/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.37 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL7213936 | 0.86 | GAA (0.43) | GAAPKMFGFR2FGFR3FGFR1 | |
| SCHEMBL29585213 | 0.86 | GAA (0.43) | GAAPKMFGFR2FGFR3FGFR1 | |
| SCHEMBL8348438 | 0.84 | KIF11 (0.47) | GAAFGFR1ADORA2AADORA2BMAP2K4 | |
| SCHEMBL5391597 | 0.81 | PDPK1 (0.56) | GAAPKMFGFR2FGFR3FGFR1 | |
| SCHEMBL30882695 | 0.81 | PDPK1 (0.56) | GAAPKMFGFR2FGFR3FGFR1 | |
| Hydrochloric Acid SCHEMBL7425346 | 0.80 | PDPK1 (0.55) | GAAPKMFGFR2FGFR3FGFR1 | |
| SCHEMBL12124008 | 0.79 | GAA (0.43) | GAAPKMFGFR2FGFR3FGFR1 | |
| SCHEMBL11976879 | 0.77 | KDM4E (0.50) | GAAGSK3B | |
| SCHEMBL588513 | 0.76 | AXL (0.50) | PKMFGFR2FGFR1ADORA2AADORA2B | |
| SCHEMBL29613696 | 0.76 | AXL (0.50) | PKMFGFR2FGFR1ADORA2AADORA2B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6610692-B1 | Anticoagulants | MERCK & CO., INC. | 2003-08-26 | — | — | US | disclosed |
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| EP-1124823-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026210-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |