Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 3/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | GRM6 | O15303 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7385332 | 0.77 | CFTR (0.36) | CFTRCNR1CNR2CYP2C9CYP2C19 | |
| SCHEMBL6982885 | 0.72 | CFTR (0.37) | CFTRCYP2C9SLC7A5GABRA1GABRG2 | |
| SCHEMBL7412107 | 0.71 | DPP4 (0.37) | MAPK1ALDH1A1HPGDKDM4EGLA | |
| SCHEMBL14634345 | 0.71 | GRM5 (0.47) | CNR1CNR2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL7001686 | 0.69 | LCK (0.41) | — | |
| SCHEMBL27497162 | 0.69 | GRM6 (0.35) | CNR1CNR2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL27497487 | 0.69 | GRM6 (0.35) | CNR1CNR2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL29104726 | 0.69 | KDM4E (0.40) | CFTRALDH1A1KDM4EGAA | |
| SCHEMBL28170041 | 0.69 | AOC1 (0.34) | ALDH1A1KDM4EHIF1ACYP1A2 | |
| SCHEMBL28037738 | 0.68 | ALDH1A1 (0.36) | CNR1CNR2CYP2C9CYP2C19NPSR1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934064-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2003-03-12 | — | — | EP | disclosed |
| EP-1082324-A4 | IMIDAZOPYRIDINE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-01-02 | — | — | EP | disclosed |
| EP-1017383-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-11-28 | — | — | EP | disclosed |
| EP-1039907-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-09-19 | — | — | EP | disclosed |
| EP-1082324-A1 | IMIDAZOPYRIDINE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| EP-1039907-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-10-04 | — | — | EP | disclosed |
| US-6093717-A | A SERINE PROTEASE INHIBITOR PREVENTING CORONARY ARTERY DISEASE AND INHIBITING THROMBUS FORMATION IN BLOOD | MERCK & CO., INC. (US) | 2000-07-25 | — | — | US | disclosed |
| EP-1017383-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-07-12 | — | — | EP | disclosed |
| US-6087373-A | A SERINE PROTEASE INHIBITOR FOR PREVENTING OR TREATING UNSTABLE ANGINA, REFRACTORY ANGINA, MYOCARDIAL INFARCTION, TRANSIENT ISCHEMIC ATTACKS, ATRIAL FIBRILLATION, THROMBOTIC STROKE, EMBOLIC STROKE, DEEP VEIN THROMBOSIS | MERCK & CO., INC. (US) | 2000-07-11 | — | — | US | disclosed |
| EP-0971891-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2000-04-19 | — | — | EP | disclosed |
| US-6017934-A | Thrombin inhibitors | MERCK & CO., INC. (US) | 2000-01-25 | — | — | US | disclosed |
| EP-0971891-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-01-19 | — | — | EP | disclosed |
| US-6004976-A | ADMINISTERING IMIDAZO(4,5-C)PYRIDIN-2,4-DIONE DERIVATIVES AS ANTICOAGULANTS | MERCK & CO., INC. (US) | 1999-12-21 | — | — | US | disclosed |
| WO-1999061442-A1 | IMIDAZOPYRIDINE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1999-12-02 | — | — | WO | disclosed |
| WO-1999027930-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1999-06-10 | — | — | WO | disclosed |
| WO-1999015169-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1999-04-01 | — | — | WO | disclosed |
| US-5869487-A | HIGH SELECTIVITY FOR THROMBIN; TREATING UNSTABLE ANGINA, MYOCARDIAL INFARCTION, ATRIAL FIBRILLATION, DEEP VEIN THROMBOSIS AND OTHER DISEASES | MERCK & CO., INC. (US) | 1999-02-09 | — | — | US | disclosed |
| WO-1998031670-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1998-07-23 | — | — | WO | disclosed |