Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MLYCD | O95822 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL10900666 | 0.85 | TAS1R3 (0.37) | TAS1R3TAS1R1TAS1R2POLBCYP2C19 | |
| SCHEMBL5351163 | 0.82 | TAS1R3 (0.34) | TAS1R3TAS1R1TAS1R2CYP2C19CYP2D6 | |
| SCHEMBL18170195 | 0.82 | TAS1R3 (0.34) | TAS1R3TAS1R1TAS1R2CYP2C19CYP2D6 | |
| SCHEMBL30601961 | 0.80 | TAS1R3 (0.33) | TAS1R3TAS1R1TAS1R2CYP2C19CYP2D6 | |
| SCHEMBL6729228 | 0.79 | TAS1R3 (0.48) | TAS1R3TAS1R1TAS1R2POLBCYP2C19 | |
| SCHEMBL2934387 | 0.77 | ALDH1A1 (0.36) | TAS1R3TAS1R1TAS1R2POLBCYP2C19 | |
| SCHEMBL18730508 | 0.77 | ALDH1A1 (0.36) | TAS1R3TAS1R1TAS1R2POLBCYP2C19 | |
| SCHEMBL6578422 | 0.76 | TAS1R3 (0.32) | TAS1R3TAS1R1TAS1R2CYP2C19CYP2D6 | |
| SCHEMBL31059504 | 0.75 | CYP2D6 (0.33) | TAS1R3TAS1R1TAS1R2CYP2C19CYP2D6 | |
| SCHEMBL28580498 | 0.72 | THRB (0.40) | — |
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-2020157652-A2 | CDK2 INHIBITORS | PFIZER INC. (US) | 2020-08-06 | — | — | WO | disclosed |