Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 13/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1710219 | 0.80 | MBOAT4 (0.37) | MBOAT4IDH1XDH | |
| SCHEMBL1710284 | 0.72 | BDKRB2 (0.56) | MBOAT4 | |
| SCHEMBL1710435 | 0.70 | CRHBP (0.38) | MBOAT4KDM4EALDH1A1L3MBTL1GLA | |
| SCHEMBL1710225 | 0.68 | MBOAT4 (0.40) | MBOAT4KDM4EALDH1A1IDH1XDH | |
| SCHEMBL11844596 | 0.65 | CRHBP (0.48) | MBOAT4KDM4EALDH1A1L3MBTL1GLA | |
| SCHEMBL11832343 | 0.65 | DAO (0.54) | MBOAT4KDM4EALDH1A1L3MBTL1GAA | |
| SCHEMBL5117155 | 0.63 | CRHBP (0.54) | MBOAT4KDM4EALDH1A1L3MBTL1GLA | |
| SCHEMBL10750342 | 0.62 | CRHBP (0.50) | MBOAT4KDM4EALDH1A1L3MBTL1GLA | |
| SCHEMBL7276657 | 0.61 | CRHBP (0.60) | MBOAT4KDM4EALDH1A1GAACRHBP | |
| SCHEMBL8885481 | 0.61 | CRHBP (0.51) | MBOAT4KDM4EALDH1A1L3MBTL1GLA |
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 |