Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7547429 | 1.00 | CYP3A4 (0.34) | CYP3A4CYP2C9CYP2D6MAPTCYP2C19 | |
| SCHEMBL17967781 | 0.76 | CYP3A4 (0.33) | CYP3A4CYP2C9CYP2D6MAPTCYP2C19 | |
| SCHEMBL17967761 | 0.76 | CYP3A4 (0.33) | CYP3A4CYP2C9CYP2D6MAPTCYP2C19 | |
| SCHEMBL15613145 | 0.68 | MAPT (0.33) | MAPTCYP2C19 | |
| SCHEMBL6520813 | 0.67 | TDP1 (0.39) | CYP2D6 | |
| SCHEMBL821226 | 0.67 | TDP1 (0.39) | CYP2D6 | |
| SCHEMBL15672321 | 0.67 | TDP1 (0.39) | CYP2D6 | |
| SCHEMBL1218407 | 0.67 | ALDH1A1 (0.41) | MAPTTSHRMAPK1 | |
| SCHEMBL7663419 | 0.67 | POLB (0.35) | CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL10485411 | 0.67 | ALDH1A1 (0.41) | MAPTTSHRMAPK1 |
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-1047684-B1 | SUBSTITUTED ALPHA,BETA-ANELLATED BUTYROLACTONES | BAYER AG (DE) | 2002-10-02 | — | — | EP | claimed |