Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dabigatran Etexilate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 19/20 | 0.76 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.76 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.76 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.76 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.76 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.76 |
| ▸ | NQO2 | P16083 | 2/20 | 0.75 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.62 |
| ▸ | F10 | P00742 | 1/20 | 0.62 |
| ▸ | PLG | P00747 | 1/20 | 0.62 |
| ▸ | PLAT | P00750 | 1/20 | 0.62 |
| ▸ | PROC | P04070 | 1/20 | 0.62 |
| ▸ | HPN | P05981 | 1/20 | 0.62 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.62 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.62 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.62 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.62 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Dabigatran Etexilate SCHEMBL505829 | 0.99 | F2 (0.77) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| SCHEMBL6781620 | 0.99 | F2 (0.77) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| Dabigatran Etexilate SCHEMBL4288129 | 0.99 | F2 (0.76) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| Dabigatran Etexilate SCHEMBL3576423 | 0.99 | F2 (0.76) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| Dabigatran Etexilate SCHEMBL1268805 | 0.97 | F2 (0.74) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| Dabigatran Etexilate SCHEMBL2525835 | 0.96 | F2 (0.73) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| Dabigatran Etexilate SCHEMBL2525834 | 0.96 | F2 (0.73) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| SCHEMBL6775505 | 0.95 | F2 (0.70) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| SCHEMBL6781399 | 0.95 | F2 (0.70) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| SCHEMBL6781408 | 0.95 | F2 (0.70) | F2NR1I2ADORA3SLC6A2AGTR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1845917-B | 3- [ (2- { [4- (hexyloxycarbonylamino-imino-methyl) -phenylamino ] -methyl } -1-methyl-1H-benzimidazole-5-carbonyl) -pyridin-2-yl-amino ] -propionic acid ethyl ester-methanesulfonate and its use as a medicament | BOEHRINGER INGELHEIM INT | 2011-05-11 | — | — | CN | disclosed |
| CN-1845917-A | 3- [ (2- { [ 4- (hexyloxycarbonylamino-imino-methyl) -phenylamino ] -methyl } -1-methyl-1H-benzimidazole-5-carbonyl) -pyridin-2-yl-amino ] -propionic acid ethyl ester methanesulfonate and its use as a medicament | BOEHRINGER INGELHEIM INT (DE) | 2006-10-11 | — | — | CN | disclosed |
| WO-2005028468-A1 | 3-[(2-{[4-(HEXYLOXYCARBONYLAMINO-IMINO-METHYL)-PHENYLAMINO]-METHYL}-1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)-PYRIDINE-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER METHANE SULPHONATE AND USE THEREOF AS A MEDICAMENT | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-03-31 | — | — | WO | disclosed |