Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.39 |
| ▸ | XDH | P47989 | 2/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL18369621 | 0.81 | LRRK2 (0.38) | HTTKDM4EALDH1A1LMNAGAA | |
| SCHEMBL25054075 | 0.81 | KDM4E (0.36) | HTTKDM4EALDH1A1LMNAGAA | |
| SCHEMBL19349693 | 0.77 | BRAF (0.48) | — | |
| SCHEMBL21988135 | 0.74 | GSK3B (0.51) | HTTKDM4EALDH1A1LMNAGAA | |
| SCHEMBL31307016 | 0.74 | GSK3B (0.51) | HTTKDM4EALDH1A1LMNAGAA | |
| Hydrochloric Acid SCHEMBL30279704 | 0.72 | GSK3B (0.50) | HTTKDM4EALDH1A1LMNAGAA | |
| Hydrochloric Acid SCHEMBL21988060 | 0.72 | GSK3B (0.50) | HTTKDM4EALDH1A1LMNAGAA | |
| SCHEMBL22582281 | 0.72 | IDO1 (0.46) | HTTKDM4EGAALRRK2XDH | |
| SCHEMBL12721815 | 0.72 | RET (0.38) | KDM4EGAALRRK2XDHRET | |
| SCHEMBL175432 | 0.72 | RET (0.38) | HTTKDM4EGAAL3MBTL1LRRK2 |
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-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 |