Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7116145 | 0.74 | — | — | |
| SCHEMBL22551299 | 0.74 | CYP2C19 (0.60) | CYP2C19POLBBLMATMALDH1A1 | |
| SCHEMBL31305004 | 0.68 | CYP2C19 (0.36) | CYP2C19POLBBLMATMMME | |
| Ethylene Glycol SCHEMBL2776457 | 0.66 | CYP2C19 (0.52) | CYP2C19POLBBLMATMALDH1A1 | |
| SCHEMBL7262069 | 0.66 | CYP2C19 (0.52) | CYP2C19POLBBLMATMALDH1A1 | |
| SCHEMBL17011766 | 0.66 | — | — | |
| SCHEMBL19545977 | 0.66 | — | — | |
| SCHEMBL26010654 | 0.65 | MME (0.36) | CYP2C19POLBBLMATMMME | |
| SCHEMBL27971942 | 0.64 | MME (0.41) | CYP2C19POLBBLMATMMME | |
| SCHEMBL8677748 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2123695-A1 | METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN | Mitsui Chemicals, Inc. (JP) | 2009-11-25 | — | — | EP | disclosed |