Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CHAT | P28329 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8104983 | 1.00 | CYP2C19 (0.43) | CYP2C19TSHRALDH1A1MAOBCYP2D6 | |
| SCHEMBL8103108 | 0.80 | CYP2D6 (0.39) | CYP2C19TSHRALDH1A1CYP2D6DRD2 | |
| SCHEMBL28440727 | 0.79 | CYP2C19 (0.47) | CYP2C19TSHRALDH1A1MAOBCYP2D6 | |
| SCHEMBL29093795 | 0.79 | CYP2C19 (0.47) | CYP2C19TSHRALDH1A1MAOBCYP2D6 | |
| Acrylonitrile SCHEMBL11774150 | 0.76 | CYP2C19 (0.44) | CYP2C19TSHRALDH1A1MAOBL3MBTL1 | |
| SCHEMBL9165033 | 0.75 | CYP2D6 (0.38) | CYP2C19ALDH1A1CYP2D6DRD2DRD4 | |
| SCHEMBL10229439 | 0.75 | CYP2D6 (0.38) | CYP2C19ALDH1A1CYP2D6DRD2DRD4 | |
| SCHEMBL6546422 | 0.74 | CYP2C19 (0.50) | CYP2C19TSHRALDH1A1MAOBNPC1 | |
| SCHEMBL28706854 | 0.74 | CYP2C19 (0.50) | CYP2C19TSHRALDH1A1MAOBNPC1 | |
| SCHEMBL4789182 | 0.74 | CYP2C19 (0.50) | CYP2C19TSHRALDH1A1MAOBNPC1 |
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-1055653-A2 | Process for the preparation of alkenyl compounds | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-29 | — | — | EP | disclosed |