Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1059732 | 0.90 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP3A4TDP1ALDH1A1NR1H2 | |
| SCHEMBL31336305 | 0.90 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP3A4TDP1ALDH1A1NR1H2 | |
| SCHEMBL1710375 | 0.81 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1MAPK1POLBKDM4E | |
| SCHEMBL29880065 | 0.81 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1MAPK1POLBKDM4E | |
| SCHEMBL24737978 | 0.80 | ALDH1A1 (0.46) | SMN1; SMN2CYP3A4TDP1ALDH1A1NR1H2 | |
| SCHEMBL10736055 | 0.79 | SMN1; SMN2 (0.61) | SMN1; SMN2CYP3A4TDP1ALDH1A1NR1H2 | |
| SCHEMBL8840383 | 0.78 | POLB (0.57) | SMN1; SMN2TDP1ALDH1A1NR1H2NR1H3 | |
| SCHEMBL10004036 | 0.77 | CYP3A4 (0.45) | SMN1; SMN2CYP3A4TDP1ALDH1A1NR1H2 | |
| SCHEMBL31353159 | 0.76 | POLB (0.50) | SMN1; SMN2CYP3A4TDP1ALDH1A1NR1H2 | |
| SCHEMBL14625956 | 0.76 | POLB (0.50) | SMN1; SMN2CYP3A4TDP1ALDH1A1NR1H2 |
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-2344477-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | Jerini AG (DE) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010031589-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | JERINI AG (DE) | 2010-03-25 | — | — | WO | disclosed |