Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.53 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | FLT3 | P36888 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL186343 | 0.86 | NR4A1 (0.62) | GAANR4A1TDP1MAPK1ALDH1A1 | |
| SCHEMBL4230288 | 0.81 | GAA (0.64) | GAAADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL11219654 | 0.81 | GAA (0.64) | GAAADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL6439831 | 0.81 | GAA (0.64) | GAAADRA2AADRA2CADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL6438214 | 0.80 | MAPT (0.62) | GAAADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL10639862 | 0.80 | GAA (0.72) | GAAADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL25634740 | 0.78 | GAA (0.80) | GAAADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL10640322 | 0.77 | GAA (0.58) | GAAADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL4791618 | 0.77 | GAA (0.58) | GAAADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL15698752 | 0.77 | ADRA2A (0.51) | GAAADRA2AADRA2CADRA1DADRA1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2401256-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |