Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 16/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.62 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.62 |
| ▸ | NQO2 | P16083 | 2/20 | 0.60 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.49 |
| ▸ | F10 | P00742 | 1/20 | 0.49 |
| ▸ | PLG | P00747 | 1/20 | 0.49 |
| ▸ | PLAT | P00750 | 1/20 | 0.49 |
| ▸ | PROC | P04070 | 1/20 | 0.49 |
| ▸ | HPN | P05981 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.49 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.49 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6785242 | 1.00 | F2 (0.62) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| SCHEMBL6780842 | 0.97 | NQO2 (0.61) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| SCHEMBL6778819 | 0.90 | F2 (0.63) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| SCHEMBL6781620 | 0.89 | F2 (0.77) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| Dabigatran Etexilate SCHEMBL505829 | 0.89 | F2 (0.77) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| Dabigatran Etexilate SCHEMBL4288129 | 0.89 | F2 (0.76) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| Dabigatran Etexilate SCHEMBL3576423 | 0.89 | F2 (0.76) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| Dabigatran Etexilate SCHEMBL6517210 | 0.89 | F2 (0.76) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| SCHEMBL6775129 | 0.89 | NQO2 (0.64) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| Dabigatran Etexilate SCHEMBL1268805 | 0.87 | F2 (0.74) | 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 |
|---|---|---|---|---|---|---|---|
| US-6710055-B2 | INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBO QUINOLINE-8-SULFONYLAMINO)-INDOLE | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2004-03-23 | — | — | US | disclosed |
| US-6469039-B1 | BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-10-22 | — | — | US | disclosed |
| US-6087380-A | ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-07-11 | — | — | US | disclosed |