Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.36 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | SGK1 | O00141 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 3/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | PRKCI | P41743 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.31 |
| ▸ | JAK2 | O60674 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7214723 | 0.98 | RET (0.35) | RETPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL19249974 | 0.84 | RET (0.35) | RETPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL13486497 | 0.84 | RET (0.35) | RETPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL18371143 | 0.82 | CYP1A2 (0.33) | ROCK1SGK1CDK8 | |
| SCHEMBL25054076 | 0.82 | LOX (0.34) | SGK1DHFRCDK8 | |
| Hydrochloric Acid SCHEMBL18423416 | 0.81 | CYP1A2 (0.33) | SGK1CDK8 | |
| SCHEMBL1585143 | 0.80 | SGK1 (0.54) | SGK1GSK3AGSK3BDYRK1ACDK8 | |
| SCHEMBL13486445 | 0.80 | MAPK1 (0.37) | RETPI4KAXDHLRRK2PI4K2B | |
| Hydrochloric Acid SCHEMBL1585928 | 0.79 | SGK1 (0.53) | SGK1GSK3AGSK3BCDK8ATR | |
| Hydrochloric Acid SCHEMBL1585447 | 0.79 | SGK1 (0.53) | SGK1GSK3AGSK3BCDK8ATR |
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 7 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 |
| US-6376499-B1 | PIPERAZINE-AMIDE COMPOUND WITH ANTICOAGULANT ACTIVITY | MERCK & CO., INC. | 2002-04-23 | — | — | US | disclosed |
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124823-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| EP-1124822-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 |