Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | WRN | Q14191 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18127552 | 0.83 | DGKA (0.44) | GAAALDH1A1CYP1A2LMNAHSD17B10 | |
| SCHEMBL18127546 | 0.82 | DGKA (0.47) | GAAALDH1A1CYP1A2LMNAHSD17B10 | |
| SCHEMBL28078457 | 0.80 | NAAA (0.33) | NAAAGAAMGAMSIMGAM2 | |
| SCHEMBL27313729 | 0.80 | ALDH1A1 (0.50) | GAACA1CA2MGAMSI | |
| SCHEMBL11208718 | 0.79 | NAAA (0.41) | NAAAGAAMGAMSIMGAM2 | |
| SCHEMBL28053061 | 0.79 | NAAA (0.44) | NAAAGAACA1CA2MGAM | |
| SCHEMBL18126368 | 0.79 | DGKA (0.40) | GAAALDH1A1CYP1A2LMNAHSD17B10 | |
| SCHEMBL14052911 | 0.79 | NAAA (0.32) | NAAACA1CA2ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL28902691 | 0.78 | ALDH1A1 (0.48) | GAACA1CA2MGAMSI | |
| SCHEMBL18126297 | 0.77 | DGKA (0.43) | GAAALDH1A1CYP1A2LMNAHSD17B10 |
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-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 | claimed |
| CN-106033079-A | Method for detecting related substance imidazole in starting material F of dabigatran etexilate mesylate | 成都百裕制药股份有限公司 | 2016-10-19 | — | — | 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 |