Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL5351163 | 0.78 | TAS1R3 (0.34) | TAS1R3TAS1R1TAS1R2CYP2D6CYP2C19 | |
| SCHEMBL18170195 | 0.78 | TAS1R3 (0.34) | TAS1R3TAS1R1TAS1R2CYP2D6CYP2C19 | |
| SCHEMBL5480433 | 0.76 | PKM (0.30) | — | |
| SCHEMBL22311151 | 0.76 | TAS1R3 (0.37) | TAS1R3TAS1R1TAS1R2CYP2D6CYP2C19 | |
| SCHEMBL10900666 | 0.76 | TAS1R3 (0.37) | TAS1R3TAS1R1TAS1R2CYP2D6CYP2C19 | |
| SCHEMBL30601961 | 0.76 | TAS1R3 (0.33) | TAS1R3TAS1R1TAS1R2CYP2D6CYP2C19 | |
| SCHEMBL31059504 | 0.71 | CYP2D6 (0.33) | TAS1R3TAS1R1TAS1R2CYP2D6CYP2C19 | |
| SCHEMBL6729228 | 0.70 | TAS1R3 (0.48) | TAS1R3TAS1R1TAS1R2CYP2D6CYP2C19 | |
| SCHEMBL10663366 | 0.70 | — | — | |
| SCHEMBL27239991 | 0.70 | — | — |
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-1386662-A1 | Double metal cyanide catalysts for preparing polyether polyols | Bayer Aktiengesellschaft (DE) | 2004-02-04 | — | — | EP | disclosed |