Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 15/20 | 0.56 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 3/20 | 0.45 |
| ▸ | TYK2 | P29597 | 2/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.43 |
| ▸ | CDK2 | P24941 | 3/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.43 |
| ▸ | CDC7 | O00311 | 3/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.43 |
| ▸ | PRKACA | P17612 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
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 SCHEMBL7214665 | 0.98 | JAK2 (0.55) | JAK2PDPK1GAAKDM4ECYP3A4 | |
| SCHEMBL30882695 | 0.85 | PDPK1 (0.56) | JAK2PDPK1GAAKDM4ECYP3A4 | |
| SCHEMBL5391597 | 0.85 | PDPK1 (0.56) | JAK2PDPK1GAAKDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL7425346 | 0.83 | PDPK1 (0.55) | JAK2PDPK1GAAKDM4ECYP3A4 | |
| SCHEMBL1696402 | 0.83 | JAK2 (0.55) | JAK2PDPK1GAAKDM4ECYP3A4 | |
| SCHEMBL14177539 | 0.83 | JAK2 (0.55) | JAK2PDPK1GAAKDM4ECYP3A4 | |
| SCHEMBL4542210 | 0.83 | JAK2 (0.59) | JAK2PDPK1GAAKDM4ECYP3A4 | |
| SCHEMBL25090835 | 0.81 | GAA (0.43) | JAK2PDPK1GAAPKMFGFR1 | |
| SCHEMBL7213936 | 0.81 | GAA (0.43) | JAK2PDPK1GAAPKMFGFR1 | |
| SCHEMBL29585213 | 0.81 | GAA (0.43) | JAK2PDPK1GAAPKMFGFR1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001079195-A9 | PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS | CORVAS INT INC (US) | 2003-10-23 | — | — | WO | disclosed |
| US-6610692-B1 | Anticoagulants | MERCK & CO., INC. | 2003-08-26 | — | — | US | disclosed |
| US-6506754-B1 | Compounds as anticoagulants | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2001079195-A2 | PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 2001-10-25 | — | — | WO | disclosed |
| WO-2001079262-A1 | PYRAZINONE AND PYRIDINONE DERIVATIVES AS THROMBIN INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 2001-10-25 | — | — | WO | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |