Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | FDPS | P14324 | 6/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | LAP3 | P28838 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6352748 | 0.90 | FDPS (0.41) | CYP3A4L3MBTL1ALDH1A1FDPSLAP3 | |
| SCHEMBL228798 | 0.83 | ALDH1A1 (0.52) | CYP3A4L3MBTL1ALDH1A1FDPSCA2 | |
| SCHEMBL665561 | 0.83 | FDPS (0.56) | CYP3A4L3MBTL1ALDH1A1FDPSCA2 | |
| SCHEMBL8105072 | 0.83 | CYP3A4 (0.52) | CYP3A4L3MBTL1ALDH1A1FDPSCA2 | |
| SCHEMBL1123765 | 0.83 | CYP3A4 (0.52) | CYP3A4L3MBTL1ALDH1A1FDPSCA2 | |
| SCHEMBL641159 | 0.82 | ALDH1A1 (0.50) | CYP3A4L3MBTL1ALDH1A1FDPSCA2 | |
| SCHEMBL20565552 | 0.82 | FDPS (0.54) | CYP3A4L3MBTL1ALDH1A1FDPSCA2 | |
| SCHEMBL21385015 | 0.82 | FDPS (0.54) | CYP3A4L3MBTL1ALDH1A1FDPSCA2 | |
| Hydrochloric Acid SCHEMBL2149848 | 0.82 | FDPS (0.54) | CYP3A4L3MBTL1ALDH1A1FDPSCA2 | |
| SCHEMBL673442 | 0.82 | ALDH1A1 (0.50) | CYP3A4L3MBTL1ALDH1A1FDPSCA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002085918-A1 | A FACILE SYNTHESIS OF SYMMETRIC ESTERS OF ALKYLENEBISPHOSPHONIC ACIDS | LOYOLA UNIVERSITY OF CHICAGO (US) | 2002-10-31 | — | — | WO | disclosed |